SCHEMBL1014548

SCHEMBL1014548

NCCc1cc(F)cc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.60
MAOB P27338 4/20 0.48
IDO1 P14902 2/20 0.48
HTR2A P28223 2/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DAO P14920 1/20 0.39

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 SCHEMBL2211247 0.97 TAAR1 (0.58) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL30644671 0.85 TAAR1 (0.52) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL25808892 0.85 TAAR1 (0.52) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL6194231 0.84 TAAR1 (0.45) TAAR1MAOBIDO1CYP2A6DAO
SCHEMBL24753080 0.84 TAAR1 (0.50) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL6911666 0.84 TAAR1 (0.50) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL5045761 0.84 TAAR1 (0.50) TAAR1MAOBHTR2ACYP2A6HTR2C
SCHEMBL15766140 0.84 TAAR1 (0.54) TAAR1MAOB
SCHEMBL19405242 0.84 TAAR1 (0.50) TAAR1MAOBIDO1HTR2ACYP2A6
SCHEMBL3237616 0.84 TAAR1 (0.50) TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US claimed
US-20250368633-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF ARTIVILA BIOPHARMA (CN) 2025-12-04 US disclosed
EP-4582414-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF Artivila Biopharma (CN) 2025-07-09 EP disclosed
WO-2024046361-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF 科辉智药生物科技(无锡)有限公司 2024-03-07 WO disclosed
CN-117645579-A Aza-fused ring compounds as RIPK1 inhibitors and uses thereof 科辉智药生物科技(深圳)有限公司 2024-03-05 CN disclosed
CN-116854630-A Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-10-10 CN disclosed
CN-112055712-B Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-07-14 CN disclosed
EP-3752496-B1 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TAAR1 2207/4885MAOB 103/4885IDO1 828/4885
US-20250368633-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF RIPK1, RIPK2, RIPK4 TAAR1 4751/4885MAOB 3811/4885IDO1 2485/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TAAR1 2207/4885MAOB 103/4885IDO1 828/4885

“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.