SCHEMBL21518692

SCHEMBL21518692

CNCc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.62
▸ CYP11B2 P19099 7/20 0.62
▸ CYP1A2 P05177 4/20 0.62
▸ PDE3B Q13370 3/20 0.57
▸ PDE3A Q14432 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ TBXAS1 P24557 1/20 0.57
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KIF11 P52732 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ BMPR1B O00238 1/20 0.44
▸ BMPR1A P36894 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44

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
SCHEMBL31259949 0.86 CYP11B2 (0.57) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL14789821 0.86 CYP11B2 (0.57) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL14778457 0.84 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL14779040 0.79 CYP11B2 (0.58) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL31259980 0.78 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL14789897 0.78 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL21518691 0.78 CYP11B2 (0.61) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL22005295 0.77 CYP11B1 (0.67) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL1119377 0.77 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL1119981 0.76 CYP11B1 (0.72) CYP11B1CYP11B2CYP1A2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP claimed
US-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2016-07-07 — — 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 (1 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-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 CYP11B1 1089/4885CYP11B2 1068/4885CYP1A2 1578/4885

“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.

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