SCHEMBL1607383

SCHEMBL1607383

[c]1nc(N2CCOCC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ AR P10275 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL577749 0.82 HRH4 (0.35) KMT2ACYP1A2MAPTCRHBPCRHR2
SCHEMBL1607844 0.77 ALDH1A1 (0.43) KMT2AHTTCYP1A2HRH4CYP2C19
SCHEMBL17628669 0.74 RAB9A (0.49) KMT2AHTTCYP1A2MAPTNPSR1
SCHEMBL1170084 0.69 MAPT (0.37) CYP1A2CYP2D6MAPTLMNACYP2C19
SCHEMBL952225 0.69 SMN1; SMN2 (0.51) KMT2AHTTMAPTLMNAMEN1
SCHEMBL2030492 0.68 KMT2A (0.41) KMT2AHTTCYP1A2CYP2D6MAPT
SCHEMBL2091613 0.68 KCNA5 (0.44) MAPTNPC1RAB9AALDH1A1
SCHEMBL17626121 0.68 ALDH1A1 (0.40) HTTCYP1A2CYP2D6MAPTNPSR1
SCHEMBL1671129 0.67 KMT2A (0.56) KMT2AHTTCYP1A2MAPTCRHBP
SCHEMBL28344176 0.67 ALDH1A1 (0.46) KMT2AHTTCYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
US-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 — — US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 — — US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 — — EP disclosed
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 — — US disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 — — WO disclosed
US-8598211-B2 Carboxamide compounds and their use as calpain inhibitors IV ABBVIE INC. (US) 2013-12-03 — — US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 — — US disclosed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 — — US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 — — US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 — — EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 — — 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 (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-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPNS1, CAPN1 KMT2A 2436/4885HTT 824/4885CYP1A2 4089/4885
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPN1, CAPN9 KMT2A 2012/4885HTT 528/4885CYP1A2 1666/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KMT2A 3849/4885HTT 1304/4885CYP1A2 3479/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA KMT2A 3823/4885HTT 1350/4885CYP1A2 2216/4885

“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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