SCHEMBL4067927

SCHEMBL4067927

c1ncc(-c2ccc3c(c2)CCCC3)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
IDO1 P14902 7/20 0.49
ASIC3 Q9UHC3 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 2/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2E1 P05181 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL31659808 0.74 DYRK1A (0.50) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL26265591 0.74 CYP11B1 (0.85) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL24428038 0.73 CYP11B1 (0.60) CYP11B1CYP11B2SMN1; SMN2POLBMAPT
SCHEMBL17800997 0.72 IDO1 (0.75) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL28663639 0.72 CYP11B1 (0.61) CYP11B1CYP11B2ASIC3SMN1; SMN2MAPT
SCHEMBL26260218 0.72 CYP11B1 (0.82) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL27880327 0.71 IDO1 (0.67) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL31403025 0.69 POLB (0.63) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL20054668 0.69 CYP11B1 (0.77) CYP11B1CYP11B2IDO1ASIC3SMN1; SMN2
SCHEMBL23641045 0.68 CYP11B2 (0.62) CYP11B1CYP11B2SMN1; SMN2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CYP11B1 711/4885CYP11B2 688/4885IDO1 2001/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CYP11B1 1034/4885CYP11B2 1102/4885IDO1 1578/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CYP11B1 711/4885CYP11B2 688/4885IDO1 2001/4885

“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.