SCHEMBL3376112

SCHEMBL3376112

CCc1nc(C#N)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.58
GABRD O14764 4/20 0.58
GABRA1 P14867 4/20 0.58
GABRB1 P18505 4/20 0.58
GABRG2 P18507 4/20 0.58
GABRB3 P28472 4/20 0.58
GABRA5 P31644 4/20 0.58
GABRA3 P34903 4/20 0.58
GABRA2 P47869 4/20 0.58
GABRB2 P47870 4/20 0.58
GABRA4 P48169 4/20 0.58
GABRE P78334 4/20 0.58
GABRA6 Q16445 4/20 0.58
GABRG1 Q8N1C3 4/20 0.58
GABRG3 Q99928 4/20 0.58
GABRQ Q9UN88 4/20 0.58
CAMKK2 Q96RR4 2/20 0.40
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL17712927 0.77 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8072226 0.77 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19808926 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31324958 0.75 SOS2 (0.41) CAMKK2CYP1A2SOS2ALDH1A1XDH
SCHEMBL31253334 0.75 SOS2 (0.41) CAMKK2CYP1A2SOS2ALDH1A1XDH
SCHEMBL838145 0.75 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL524642 0.74 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7651563 0.74 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20599509 0.74 SMN1; SMN2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18611219 0.74 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2

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-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GABRP 553/4885GABRD 519/4885GABRA1 886/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GABRP 553/4885GABRD 519/4885GABRA1 886/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GABRP 553/4885GABRD 519/4885GABRA1 886/4885

“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.