SCHEMBL18568684

SCHEMBL18568684

O=C(NCCc1ccccc1)C1CCC(Cn2c(NCc3ccccc3)cc3cnccc3c2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPT P10636 4/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL9995861 1.00 POLB (0.59) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL2363650 0.89 VCP (0.46) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL2362584 0.87 POLB (0.61) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL18568685 0.76 MAPT (0.46) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL2363727 0.74 PRKD1 (0.42) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL2354757 0.71 KMT2A (0.58) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL3867743 0.69 KMT2A (0.59) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL23417495 0.68 CYP2C19 (0.68) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL11960890 0.67 MAPK10 (0.63) POLBKDM4EHPGDMEN1KMT2A
SCHEMBL2357637 0.66 CYP3A4 (0.61) POLBMEN1KMT2ALMNATDP1

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
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-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 — — 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
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 POLB 3613/4885KDM4E 2256/4885HPGD 645/4885

“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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