SCHEMBL14996512

SCHEMBL14996512

CN1CCCC2(CCCN(c3ccncc3)C2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.64
▸ CYP2C9 P11712 9/20 0.64
▸ CYP2C19 P33261 8/20 0.64
▸ TSHR P16473 6/20 0.64
▸ CYP2D6 P10635 5/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPK1 P28482 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HIF1A Q16665 2/20 0.56
▸ USP2 O75604 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CYP1A2 P05177 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL14996490 0.95 CYP2C9 (0.63) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL14996494 0.95 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL14996511 0.88 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL15237591 0.88 CYP2C9 (0.62) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL13050669 0.87 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL11947861 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL13167762 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL14996507 0.80 CYP2C9 (0.58) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL11947832 0.80 CYP2C9 (0.59) CYP3A4CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL13168037 0.80 CYP2C9 (0.59) CYP3A4CYP2C9CYP2C19TSHRCYP2D6

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
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2C9 2259/4885CYP2C19 2325/4885

“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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