SCHEMBL1786899

SCHEMBL1786899

N#Cc1ccc(I)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
KIF11 P52732 2/20 0.47
AR P10275 5/20 0.40
P4HB P07237 2/20 0.38
PNMT P11086 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SLC22A12 Q96S37 4/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL31483655 1.00 TRPV4 (0.53) TRPV4KIF11ARP4HBPNMT
SCHEMBL7569957 0.81 TRPV4 (0.58) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL16961973 0.80 TRPV4 (0.34) TRPV4KIF11
SCHEMBL7604551 0.79 TRPV4 (0.56) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL185191 0.78 KIF11 (0.58) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL10502974 0.78 TRPV4 (0.54) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL29421437 0.78 KIF11 (0.58) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL524173 0.78 P4HB (0.56) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL1003776 0.78 AR (0.58) TRPV4AR
SCHEMBL409405 0.76 TRPV4 (0.53) TRPV4KIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134338-A Pyrrolidines tertiary amine is the alpha-aminonitriles compounds process for production thereof of substrate 求秋平 2019-01-04 CN claimed
US-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) NOVALED GMBH (DE) 2023-08-03 US disclosed
WO-2023110888-A1 A CE(IV) METAL COMPLEX, AN ORGANIC ELECTRONIC DEVICE COMPRISING AN ANODE LAYER, A CATHODE LAYER AND A CHARGE GENERATION LAYER, WHEREIN THE CHARGE GENERATION LAYER COMPRISES A P-TYPE CHARGE GENERATION LAYER THAT COMPRISES THE CE(IV) METAL COMPLEX AND A N-TYPE CHARGE GENERATION LAYER NOVALED GMBH (DE) 2023-06-22 WO disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-109134338-A Pyrrolidines tertiary amine is the alpha-aminonitriles compounds process for production thereof of substrate 求秋平 2019-01-04 CN disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
US-6362372-B2 HYDROGENATION OF A TRIFLUOROBENZYLNITRILE BY HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA AND A CATALYST COMPRISING A PLATINUM GROUP ELEMENT; EXTREMELY HIGH YIELDS CENTRAL GLASS COMPANY, LIMITED (JP) 2002-03-26 US disclosed
US-20020007086-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-17 US disclosed
US-6175041-B1 HYDROGENATING A TRIFLUOROMETHYLBENZONITRILE WITH HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA, USING A RANEY CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 2001-01-16 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 (6 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-20020007086-A1 Process for producing trifluoromethylbenzylamines IDH1, INMT, TH TRPV4 4031/4885KIF11 2157/4885AR 3622/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF TRPV4 4470/4885KIF11 2988/4885AR 2123/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 TRPV4 3007/4885KIF11 4272/4885AR 3153/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 TRPV4 480/4885KIF11 3434/4885AR 346/4885
US-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) AFF4, AFF1, AFF2 TRPV4 573/4885KIF11 1592/4885AR 2992/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 TRPV4 158/4885KIF11 2936/4885AR 314/4885

“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.