SCHEMBL3085502

SCHEMBL3085502

C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 1.00
TACR3 P29371 7/20 1.00
TRPV4 Q9HBA0 15/20 0.80
OPRM1 P35372 3/20 0.79
KCNH2 Q12809 1/20 0.68
CACNA1C Q13936 1/20 0.68
SCN5A Q14524 1/20 0.68

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
SCHEMBL5203642 0.84 TRPV4 (0.73) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL2373330 0.84 TRPV4 (0.72) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL6392934 0.83 TRPV4 (0.82) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945344 0.83 TRPV4 (0.80) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945397 0.83 TACR3 (0.77) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945410 0.83 TACR2 (0.89) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945443 0.83 TACR2 (0.85) TACR2TACR3TRPV4OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.83 TRPV4 (0.71) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL6390680 0.82 TACR2 (0.81) TACR2TACR3TRPV4OPRM1KCNH2
SCHEMBL5945383 0.82 TRPV4 (0.86) TACR2TACR3TRPV4OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US claimed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP claimed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-20220288028-A1 A THERAPEUTIC APPROACH FOR TREATING NON-INFECTIOUS OCULAR IMMUNOINFLAMMATORY DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2022-09-15 US disclosed
EP-3976594-A1 A THERAPEUTIC APPROACH FOR TREATING NON-INFECTIOUS OCULAR IMMUNOINFLAMMATORY DISORDERS The Schepens Eye Research Institute, Inc. (US) 2022-04-06 EP disclosed
CN-114206849-A Therapeutic methods for treating non-infectious ocular immunoinflammatory disorders 斯格本斯眼科研究所有限公司 2022-03-18 CN disclosed
US-9556200-B2 Tricyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-31 US disclosed
EP-2824106-B1 TRICYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-20150045351-A1 TRICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2824106-A1 TRICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-01-14 EP disclosed
WO-2013133325-A1 TRICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2013-09-12 WO disclosed
US-20100234284-A1 Pharmaceutical compositions based on NK2 antagonists for pediatric use ALEOTTI ALBERTO 2010-09-16 US disclosed
US-7727955-B2 Pharmaceutical compositions based on NK2 antagonists for pediatric use LABORATORI GUIDOTTI S.P.A. (IT) 2010-06-01 US disclosed
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 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 (2 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-20150045351-A1 TRICYCLIC COMPOUND HTR2C, HTR1A, HTR2A TACR2 68/4885TACR3 287/4885TRPV4 351/4885
US-20220288028-A1 A THERAPEUTIC APPROACH FOR TREATING NON-INFECTIOUS OCULAR IMMUNOINFLAMMATORY DISORDERS MSR1, LTB4R2, LTB4R TACR2 44/4885TACR3 714/4885TRPV4 369/4885

“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.