SCHEMBL9893069

SCHEMBL9893069

CCC1CCCN1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
RORC P51449 1/20 0.34
ATM Q13315 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL172614 1.00 CHRM5 (0.43) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL14665103 0.96 CHRM5 (0.48) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL16480436 0.92 MAPK1 (0.36) CHRM5ADRA2CACHECHRM2CHRM1
SCHEMBL12717512 0.92 MAPK1 (0.36) CHRM5ADRA2CACHECHRM2CHRM1
SCHEMBL13560145 0.85 CHRM5 (0.41) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL9893057 0.83 HSD11B1 (0.41) CHRM2CHRM1MAPK1KMT2AALDH1A1
SCHEMBL13560148 0.82 CYP1A2 (0.52) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL27126557 0.82 GBA1 (0.40) CHRM5ADRA2CCHRM2CHRM1MAPK1
SCHEMBL4586403 0.80 CHRM5 (0.43) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL10722386 0.80 CHRM5 (0.43) CHRM5ADRA2CACHECHRM2CHRM4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110165164-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-07-07 US disclosed
US-20110052589-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-03-03 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-7777009-B2 Compositions for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. 2009-02-26 US disclosed
US-7253007-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2007-08-07 US 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 (5 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-20110165164-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CXCR3, CXCR2, ACKR3 CHRM5 1928/4885ADRA2C 1177/4885ACHE 4558/4885
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CXCR3, CCR2, CCL2 CHRM5 2019/4885ADRA2C 1550/4885ACHE 4428/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CHRM5 571/4885ADRA2C 92/4885ACHE 1832/4885
US-20110052589-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CXCR3, CXCR2, ACKR3 CHRM5 1928/4885ADRA2C 1177/4885ACHE 4558/4885
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis VEGFA, FLT4, PGF CHRM5 3466/4885ADRA2C 2435/4885ACHE 3611/4885

“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.