SCHEMBL963581

SCHEMBL963581

NCc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
PDE2A O00408 3/20 0.44
PNMT P11086 2/20 0.43
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPBWR1 P48145 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL968626 0.98 DAO (0.47) DAOPDE2APNMTIDO1ALDH1A1
SCHEMBL27573863 0.94 KCNH2 (0.46) DAOPDE2APNMTIDO1ALDH1A1
SCHEMBL1570121 0.85 DAO (0.52) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL856434 0.84 PNMT (0.43) PDE2APNMTIDO1ALDH1A1MAPT
SCHEMBL3211500 0.82 DAO (0.49) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL3208015 0.80 PDE2A (0.49) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL30523915 0.80 PDE2A (0.49) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL92913 0.80 PDE2A (0.49) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL3765975 0.80 DAO (0.48) DAOPDE2AIDO1ALDH1A1MAPT
SCHEMBL2669965 0.80 DAO (0.51) DAOPDE2AIDO1MRGPRX4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
CN-119306679-A Nitrogen-containing heterocyclic skeleton compound, preparation method and application thereof 中国科学院上海药物研究所 2025-01-14 CN disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 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 (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-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 DAO 937/4885PDE2A 1767/4885PNMT 1072/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 DAO 2997/4885PDE2A 918/4885PNMT 2483/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 DAO 2908/4885PDE2A 869/4885PNMT 2317/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 DAO 937/4885PDE2A 1767/4885PNMT 1072/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 DAO 3311/4885PDE2A 630/4885PNMT 1354/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 DAO 2777/4885PDE2A 800/4885PNMT 2230/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R DAO 666/4885PDE2A 2080/4885PNMT 532/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 DAO 937/4885PDE2A 1767/4885PNMT 1072/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 DAO 2917/4885PDE2A 1486/4885PNMT 2406/4885

“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.