SCHEMBL12257599

SCHEMBL12257599

Cc1cc(C(C)C)ccc1N1CCC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACACB O00763 13/20 0.41
MCOLN3 Q8TDD5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 1/20 0.38
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL19862435 0.88 LMNA (0.40) HTTKDM4EACACBMCOLN3NOTUM
SCHEMBL12354673 0.82 ACACB (0.45) HTTKDM4EACACBMCOLN3ALDH1A1
SCHEMBL24824106 0.81 ACACB (0.48) ACACB
SCHEMBL25678650 0.79 ACACB (0.38) HTTACACBRAD52
SCHEMBL25690583 0.79 ACACB (0.38) HTTACACBRAD52
SCHEMBL25678607 0.79 LMNA (0.45) ACACBALDH1A1RAD52
SCHEMBL25678507 0.78 LMNA (0.38) HTTACACBALDH1A1RAD52GAA
SCHEMBL10126801 0.78 ALDH1A1 (0.58) HTTKDM4EALDH1A1RAD52GAA
SCHEMBL20884898 0.78 IRAK4 (0.38) ACACBALDH1A1GAA
SCHEMBL26853051 0.78 GAA (0.38) HTTACACBALDH1A1RAD52GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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 (4 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 HTT 1607/4885KDM4E 2972/4885ACACB 4830/4885
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HTT 705/4885KDM4E 2783/4885ACACB 4215/4885
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HTT 965/4885KDM4E 1476/4885ACACB 3301/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HTT 965/4885KDM4E 1476/4885ACACB 3301/4885

“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.