SCHEMBL63693

SCHEMBL63693

CC(C)N1CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CHRNA7 P36544 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2C P18825 1/20 0.31

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
SCHEMBL2907938 1.00 CXCR4 (0.35) CXCR4SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL1169999 0.98 CXCR4 (0.34) CXCR4SLC6A2SLC6A4MEN1KMT2A
SCHEMBL24606523 0.98 CXCR4 (0.39) CXCR4SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL4430349 0.98 CXCR4 (0.34) CXCR4SLC6A2SLC6A4MEN1KMT2A
SCHEMBL13509553 0.95 CXCR4 (0.42) CXCR4SLC6A2SLC6A4MEN1KMT2A
SCHEMBL13199855 0.95 CXCR4 (0.35) CXCR4SLC6A2SLC6A4CHRM5CHRM3
SCHEMBL24857283 0.93 ALDH1A1 (0.36) CXCR4SLC6A2SLC6A4MEN1KMT2A
SCHEMBL18161889 0.92 CXCR4 (0.40) CXCR4MEN1KMT2ACHRM5CHRM3
SCHEMBL19593830 0.90 ALDH1A1 (0.38) CXCR4CHRM5CHRM3CHRNA7HRH3
SCHEMBL1706403 0.89 MEN1 (0.39) SLC6A2SLC6A4MEN1KMT2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500192-A 2012-01-05 JP claimed
EP-2326642-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE Glaxo Group Limited (GB) 2011-06-01 EP claimed
WO-2010018231-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED (GB) 2010-02-18 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T REMIX THERAPEUTICS INC. 2024-07-18 US disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-07-11 US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 WO disclosed
EP-1675838-A1 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20050245514-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2005-11-03 US disclosed
EP-1548121-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-06-29 EP disclosed
WO-2005040144-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (7 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-20050245514-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA CXCR4 690/4885SLC6A2 2542/4885SLC6A4 2226/4885
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX CXCR4 1863/4885SLC6A2 3594/4885SLC6A4 2936/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CXCR4 1255/4885SLC6A2 4706/4885SLC6A4 3956/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CXCR4 3038/4885SLC6A2 4418/4885SLC6A4 4345/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 CXCR4 1619/4885SLC6A2 3734/4885SLC6A4 4189/4885
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF AIFM1, BAD, IRAK1 CXCR4 2205/4885SLC6A2 4590/4885SLC6A4 3947/4885
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T HNRNPAB, HNRNPC, HNRNPA1 CXCR4 1784/4885SLC6A2 4712/4885SLC6A4 3275/4885

“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.