SCHEMBL44414

SCHEMBL44414

CCc1cccc(CCN)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.63
DRD2 P14416 1/20 0.57
DRD1 P21728 1/20 0.57
HTR2A P28223 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
NOS1 P29475 1/20 0.52
HTR6 P50406 2/20 0.50
BACE1 P56817 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
KIF11 P52732 2/20 0.47
ACHE P22303 2/20 0.45
TP53 P04637 1/20 0.44

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 SCHEMBL7865884 0.98 TAAR1 (0.61) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL659100 0.88 TAAR1 (0.70) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL1724845 0.87 KIF11 (0.53) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL3057497 0.86 TAAR1 (0.63) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL9490025 0.85 TP53 (0.52) TAAR1CYP2A6NOS1TP53
Hydrochloric Acid SCHEMBL3957562 0.85 TAAR1 (0.67) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL12075404 0.85 MAOA (0.57) TAAR1HTR2AKIF11
SCHEMBL3059058 0.83 TAAR1 (0.59) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL166894 0.83 TP53 (0.61) CYP2A6SMN1; SMN2NOS1KIF11TP53
SCHEMBL284046 0.81 LOXL2 (0.55) CYP2A6SMN1; SMN2LOXL2NOS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022249709-A1 IMPEDANCE MEASUREMENT DEVICE 日置電機株式会社 2022-12-01 WO disclosed
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed
EP-2318126-B1 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE UNIV TEXAS (US) 2018-08-22 EP disclosed
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 CN disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 EP disclosed
EP-0163948-B1 PROCESS FOR PRODUCING AN INDOLINE IHARA CHEMICAL IND CO 1989-08-16 EP 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 (1 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-20110313196-A1 NOVEL PROCESS CYP3A5, CYP3A4, GBA1 TAAR1 3928/4885DRD2 2542/4885DRD1 2289/4885

“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.