SCHEMBL11955829

SCHEMBL11955829

CCN1CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ EBP Q15125 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ GRM2 Q14416 1/20 0.39

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
SCHEMBL11956074 0.91 CA12 (0.46) CA12CA2CA9KCNH2EBP
SCHEMBL11955033 0.81 KMT2A (0.51) KCNH2KDM4EGAAMAPTRAD52
SCHEMBL12944876 0.81 CYP2C9 (0.52) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL14996492 0.81 CYP3A4 (0.44) CA12CA2CA9KCNH2CYP3A4
SCHEMBL13168260 0.80 SMN1; SMN2 (0.51) KCNH2CYP1A2KDM4EGAAMAPT
SCHEMBL2056240 0.80 GAA (0.61) CA12CA2CA9KDM4EGAA
SCHEMBL13168747 0.78 KCNH2 (0.58) KCNH2CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL13168435 0.78 DRD2 (0.54) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL11947830 0.78 CA12 (0.41) CA12CA2CA9CYP3A4TSHR
SCHEMBL13168167 0.78 CYP2C9 (0.39) CYP3A4TSHRCYP1A2CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 CA12 4620/4885CA2 2033/4885CA9 3240/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CA12 4297/4885CA2 2311/4885CA9 1952/4885

“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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