SCHEMBL3430852

SCHEMBL3430852

O=C(O)CCc1cccc2c1OCCO2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.62
KDM4E B2RXH2 1/20 0.49
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
DAO P14920 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL6649870 0.91 MTNR1A (0.71) MTNR1AKDM4EROCK2ROCK1CYP3A4
SCHEMBL7523264 0.89 MTNR1A (0.71) MTNR1AKDM4EROCK2ROCK1CYP3A4
SCHEMBL166877 0.89 KDM4C (0.51) MTNR1AKDM4EPTGER1PTGER4PTGER3
SCHEMBL3639598 0.83 MTNR1A (0.59) MTNR1AKDM4EROCK2ROCK1CYP3A4
SCHEMBL7526482 0.82 MTNR1A (0.85) MTNR1AROCK2ROCK1CYP3A4CYP2D6
SCHEMBL8481900 0.80 MTNR1A (0.57) MTNR1ACTNNB1WNT3APKM
SCHEMBL3366209 0.80 MTNR1A (0.59) MTNR1AKDM4EROCK2ROCK1CYP3A4
SCHEMBL8946082 0.80 PTGER1 (0.46) MTNR1APTGER1PTGER4PTGER3PTGER2
SCHEMBL8488569 0.78 MTNR1A (0.55) MTNR1AKDM4EROCK2ROCK1CYP3A4
SCHEMBL7268290 0.77 MTNR1A (0.56) MTNR1AKDM4EROCK2ROCK1CYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
CN-101341145-A Isoquinoline aminopyrazole derivatives, their manufacture and use as pharmaceutical agents for the treatment of cancer HOFFMANN LA ROCHE (CH) 2009-01-07 CN disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-6492374-B2 AN ALKYL AMINE SUBSTITUTED ISOBENZOFURAN COMPOUND USEFUL FOR CERTAIN PSYCHIATRIC AND NEUROLOGICAL DISORDERS; POTENTLY BINDING TO THE 5-HT1A RECEPTOR H. LUNDBECK A/S (DK) 2002-12-10 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
US-20020032205-A1 Benzofuran derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
CN-1329605-A Benzofuran derivatives their preparation and use LUNDBECK & CO AS H (DK) 2002-01-02 CN disclosed
EP-1137644-A1 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-04 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
WO-2000034263-A1 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-15 WO disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP 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 (3 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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 MTNR1A 3030/4885KDM4E 2767/4885ROCK2 3461/4885
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 MTNR1A 187/4885KDM4E 3601/4885ROCK2 2449/4885
US-20020032205-A1 Benzofuran derivatives, their preparation and use HTR1F, HTR1A, HTR1D MTNR1A 427/4885KDM4E 2874/4885ROCK2 4078/4885

“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.