SCHEMBL2357150

SCHEMBL2357150

CNC(=O)C1CCC(Cn2c(CCc3ccccc3)cc3ccccc3c2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ VCP P55072 1/20 0.40

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
SCHEMBL2355147 0.84 LMNA (0.44) MAPTRXFP1TP53LMNAMEN1
SCHEMBL2362584 0.79 POLB (0.61) MAPTRXFP1TP53LMNAMEN1
SCHEMBL12024152 0.77 HTT (0.58) TP53LMNAMEN1HPGDKMT2A
SCHEMBL2363650 0.73 VCP (0.46) MAPTRXFP1TP53LMNAMEN1
SCHEMBL2354757 0.69 KMT2A (0.58) MAPTRXFP1TP53LMNAMEN1
SCHEMBL11960890 0.67 MAPK10 (0.63) MAPTRXFP1LMNAMEN1HPGD
SCHEMBL2357637 0.67 CYP3A4 (0.61) TP53LMNAMEN1KMT2APOLB
SCHEMBL18568684 0.66 POLB (0.59) MAPTRXFP1TP53LMNAMEN1
SCHEMBL24533635 0.65 CYP3A4 (0.60) RXFP1TP53LMNAMEN1KMT2A
SCHEMBL11961159 0.63 TSHR (0.61) MAPTRXFP1TP53LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135672-B9 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-05-20 — — EP disclosed
EP-3135672-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-02-19 — — EP disclosed
EP-3135672-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-02-19 — — EP disclosed
EP-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 — — EP disclosed
EP-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 — — EP disclosed
EP-2356109-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2016-12-07 — — EP disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 — — US disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 — — US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 — — US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 — — US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 — — US disclosed
EP-2356109-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2011-08-17 — — EP disclosed
WO-2010042925-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2010-04-15 — — WO disclosed
WO-2010042925-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2010-04-15 — — WO 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-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES PRKCH, PRKCG, PRKCQ MAPT 1539/4885RXFP1 3502/4885TP53 4665/4885

“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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