SCHEMBL1106071

SCHEMBL1106071

Cc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.76
HSP90AA1 P07900 1/20 0.76
ESR2 Q92731 1/20 0.76
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
THRB P10828 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
FGFR1 P11362 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7331906 0.98 TDP1 (0.73) TDP1HSP90AA1ESR2ALDH1A1HPGD
Guanidine SCHEMBL8688485 0.86 TDP1 (0.58) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL889060 0.86 TDP1 (0.57) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL1758956 0.86 TDP1 (1.00) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL29924530 0.86 TDP1 (1.00) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL8262964 0.85 HSP90AA1 (0.55) TDP1HSP90AA1ESR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7331913 0.85 TDP1 (0.97) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL1108966 0.84 ALDH1A1 (0.78) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL30798804 0.83 TDP1 (0.58) TDP1HSP90AA1ESR2ALDH1A1HPGD
SCHEMBL29171880 0.83 TDP1 (0.58) TDP1HSP90AA1ESR2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 251 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205558-B1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI SA (FR) 2012-07-25 EP claimed
US-8227504-B2 Substituted N-phenyl-pyrrolidinylmethylpyrrolidine amides and therapeutic use thereof SANOFI (FR) 2012-07-24 US claimed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US claimed
EP-2205558-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS Sanofi-Aventis (FR) 2010-07-14 EP claimed
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
WO-2009052063-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 EP claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-11 US claimed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US claimed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP claimed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US claimed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
WO-2024179405-A1 CLASS OF CINNAMAMIDE DERIVATIVES AND APPLICATION THEREOF 上海交通大学 2024-09-06 WO disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 TDP1 592/4885HSP90AA1 3358/4885ESR2 1830/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG TDP1 4258/4885HSP90AA1 3769/4885ESR2 28/4885
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 TDP1 2685/4885HSP90AA1 1773/4885ESR2 677/4885
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 TDP1 153/4885HSP90AA1 2050/4885ESR2 1560/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA TDP1 3272/4885HSP90AA1 3477/4885ESR2 70/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA TDP1 3272/4885HSP90AA1 3477/4885ESR2 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.