SCHEMBL1010476

SCHEMBL1010476

CC(=O)NCCc1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.61
MTNR1B P49286 5/20 0.61
TAAR1 Q96RJ0 2/20 0.59
CNR1 P21554 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
HIF1A Q16665 2/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL3074253 0.85 MTNR1A (0.54) MTNR1AMTNR1BKMT2ALMNAMEN1
SCHEMBL18607400 0.84 MTNR1A (0.63) MTNR1AMTNR1BKMT2ALMNAMEN1
SCHEMBL14241867 0.83 TAAR1 (0.56) MTNR1AMTNR1BTAAR1CNR1TRPV1
SCHEMBL17790724 0.83 MTNR1A (0.63) MTNR1AMTNR1BTAAR1CNR1TRPV1
SCHEMBL5988458 0.81 MTNR1A (0.65) MTNR1AMTNR1BKMT2ALMNAMEN1
SCHEMBL8229644 0.81 MTNR1A (0.65) MTNR1AMTNR1BKMT2ALMNAMEN1
SCHEMBL29941696 0.81 RIPK1 (0.61) LMNATSHR
SCHEMBL1685923 0.81 RIPK1 (0.61) LMNATSHR
SCHEMBL14045177 0.81 NPC1 (0.58) TAAR1CNR1TRPV1KMT2ALMNA
SCHEMBL18198068 0.81 MPO (0.54) KMT2AMEN1TSHRMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
WO-2021163467-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-19 WO disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-6545008-B1 Inhibitory activity against gastric acid secretion YUHAN CORPORATION (KR) 2003-04-08 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
EP-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO 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 (3 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 MTNR1A 251/4885MTNR1B 219/4885TAAR1 259/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MTNR1A 4023/4885MTNR1B 3828/4885TAAR1 2149/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MTNR1A 4023/4885MTNR1B 3828/4885TAAR1 2149/4885

“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.