SCHEMBL13066528

SCHEMBL13066528

CSc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.68
▸ KEAP1 Q14145 1/20 0.68
▸ TRPM8 Q7Z2W7 1/20 0.68
▸ RAB9A P51151 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ HPGDS O60760 1/20 0.46
▸ DCUN1D1 Q96GG9 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MELK Q14680 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41

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
SCHEMBL1773863 0.75 RAB9A (0.61) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL17280251 0.74 RAB9A (0.87) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL18539948 0.73 RAB9A (0.49) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL1230353 0.72 RAB9A (1.00) RAB9APOLBHPGDSALDH1A1NPC1
SCHEMBL7997971 0.72 RAB9A (0.63) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL28282909 0.72 RAB9A (0.57) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL4893890 0.72 RAB9A (0.57) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL17205469 0.72 APEX1 (0.52) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL7132547 0.71 RAB9A (0.61) TRPM8RAB9APOLBHPGDSSMN1; SMN2
SCHEMBL330565 0.71 ALDH1A1 (0.66) RAB9APOLBHPGDSSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 — — EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 — — US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 — — US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 — — 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 (2 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AXL 3814/4885KEAP1 191/4885TRPM8 1069/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AXL 3673/4885KEAP1 417/4885TRPM8 1169/4885

“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.

Send feedback