SCHEMBL42796

SCHEMBL42796

[NH]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CES2 O00748 1/20 0.41
DAO P14920 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TACR1 P25103 4/20 0.37
MTOR P42345 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
TSHR P16473 1/20 0.37
MLYCD O95822 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL43210 0.86 IDO1 (0.41) IDO1DAOTAAR1RXRARXRB
SCHEMBL5249761 0.78 IDO1 (0.56) IDO1CES2DAOTAAR1RXRA
SCHEMBL41778 0.77 TAAR1 (0.60) IDO1TAAR1TSHR
SCHEMBL440959 0.76 CES2 (0.58) IDO1CES2RXRARXRBRXRG
SCHEMBL5776968 0.76 IDO1 (0.54) IDO1CES2DAOTAAR1RXRA
SCHEMBL1295656 0.75 IDO1 (0.48) IDO1CES2DAORXRARXRB
SCHEMBL1575802 0.74 TAAR1 (0.54) IDO1TAAR1TSHR
SCHEMBL1776129 0.74 IDO1 (0.52) IDO1CES2DAOTAAR1RXRA
SCHEMBL11984113 0.74 IDO1 (0.52) IDO1CES2DAOTAAR1RXRA
SCHEMBL8824381 0.74 IDO1 (0.52) IDO1CES2DAOTAAR1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS INC (US) 2020-09-03 US disclosed
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 WO disclosed
EP-1035110-B1 Benzylaminodiacetamide derivatives, compositions containing the same, process for their preparation and uses OREAL (FR) 2003-01-15 EP disclosed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-1035110-A1 Benzylaminodiacetamide derivatives, compositions containing the same, process for their preparation and uses L'OREAL (FR) 2000-09-13 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 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 (9 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885CES2 197/4885DAO 1541/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885CES2 1896/4885DAO 1919/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B IDO1 1950/4885CES2 3087/4885DAO 252/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN IDO1 4709/4885CES2 161/4885DAO 1309/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885CES2 197/4885DAO 1541/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885CES2 1896/4885DAO 1919/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885CES2 1896/4885DAO 1919/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885CES2 1896/4885DAO 1919/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT IDO1 3872/4885CES2 197/4885DAO 1541/4885

“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.