SCHEMBL323323

SCHEMBL323323

CC(C)(CN)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 1.00
MAPK1 P28482 1/20 0.44
KCNN4 O15554 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PRMT1 Q99873 1/20 0.43
KIF11 P52732 4/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41

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 SCHEMBL3052766 0.97 TAAR1 (0.95) TAAR1MAPK1KCNN4CYP1A2CYP3A4
SCHEMBL17906516 0.86 TAAR1 (0.75) TAAR1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL6562809 0.86 TAAR1 (0.75) TAAR1CYP1A2CYP3A4CYP2D6PRMT1
Hydrochloric Acid SCHEMBL6563360 0.83 TAAR1 (0.71) TAAR1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL2593641 0.82 TAAR1 (0.70) TAAR1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL13886626 0.81 TAAR1 (0.67) TAAR1MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5147319 0.80 TAAR1 (0.67) TAAR1KCNN4CYP3A4CYP2D6KIF11
SCHEMBL460018 0.79 TAAR1 (0.65) TAAR1MAPK1KCNN4CYP1A2CYP3A4
SCHEMBL10505310 0.79 TAAR1 (0.65) TAAR1MAPK1KCNN4CYP1A2CYP3A4
SCHEMBL9505717 0.79 TAAR1 (0.65) TAAR1MAPK1KCNN4CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110585165-B Abuse resistant capsules R·P·谢勒技术有限公司 2022-08-12 CN claimed
CN-112209991-B Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-08-12 CN claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
JP-2009517533-A 2009-04-30 JP claimed
WO-2007075251-A2 WATER-BLOWN, FLAME RETARDANT RIGID POLYURETHANE FOAM BAYER MATERIALSCIENCE LLC (US) 2007-07-05 WO claimed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
WO-2024150676-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION 富士フイルム株式会社 2024-07-18 WO disclosed
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
EP-0035389-B1 PROCESS FOR PREPARING INTEGRAL SKIN MICROCELLULAR POLYESTER BASE POLYURETHANE ELASTOMERS, THE ELASTOMERS PER SE ISOCYANATE CURABLE COMPOSITIONS AND TWO COMPONENT COMBINATIONS FOR PRODUCING THE ELASTOMERS AND CAST SHOE SOLES ATTACHED TO SHOE UPPERS PLASTICS TECHNOLOGY ASSOCIATES, INC. (US) 1986-06-04 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4129580-A Resolution of certain asymmetric primary amines using lasalocid HOFFMANN-LA ROCHE INC. (US) 1978-12-12 US disclosed
US-4127588-A Sulphur containing derivatives HOFFMANN-LA ROCHE INC. (US) 1978-11-28 US disclosed
US-RE29324-E N-Substituted aspartyl peptide amides G. D. SEARLE & CO. (US) 1977-07-26 US disclosed
US-4025551-A 3-Amino-N-substituted succinamic acids G. D. SEARLE & CO. (US) 1977-05-24 US disclosed
US-4011260-A 3-AMINO-N-SUBSTITUTED SUCCINAMIC ACIDS AND INTERMEDIATES THERETO G. D. SEARLE & CO. (US) 1977-03-08 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-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 TAAR1 3590/4885MAPK1 1937/4885KCNN4 4113/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885MAPK1 3157/4885KCNN4 74/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885MAPK1 3157/4885KCNN4 74/4885

“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.