SCHEMBL13168747

SCHEMBL13168747

CCN1CCC2(CCN(c3ccc(C#N)cc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.58
▸ CHRNA10 Q9GZZ6 1/20 0.51
▸ CHRNA9 Q9UGM1 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2D6 P10635 6/20 0.46
▸ CYP3A4 P08684 6/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TSHR P16473 4/20 0.45
▸ KCNJ1 P48048 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL24934708 0.88 KCNH2 (0.62) KCNH2CHRNA10CHRNA9KDM4ETP53
SCHEMBL22922220 0.87 KCNH2 (0.60) KCNH2CHRNA10CHRNA9KDM4ETP53
SCHEMBL11955033 0.82 KMT2A (0.51) KCNH2KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL14996528 0.82 KCNH2 (0.51) KCNH2CHRNA10CHRNA9KDM4ETP53
SCHEMBL13168435 0.79 DRD2 (0.54) KDM4ETP53CYP2D6CYP3A4CYP1A2
SCHEMBL5356200 0.79 KDM4E (0.62) KCNH2CHRNA10CHRNA9KDM4ETP53
SCHEMBL12944876 0.79 CYP2C9 (0.52) CYP2D6CYP3A4CYP1A2TSHRCYP2C9
SCHEMBL11955829 0.78 CA12 (0.43) KCNH2KDM4ECYP2D6CYP3A4CYP1A2
SCHEMBL13131049 0.78 KDM4E (0.46) KCNH2CHRNA10CHRNA9KDM4ETP53
SCHEMBL250799 0.76 KDM4E (0.58) KCNH2CHRNA10CHRNA9KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KCNH2 257/4885CHRNA10 1634/4885CHRNA9 1088/4885

“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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