SCHEMBL12857

SCHEMBL12857

Cc1cccc(CN(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.50
NOS1 P29475 1/20 0.50
HSP90AA1 P07900 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
ACHE P22303 1/20 0.48
HTR7 P34969 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL989636 0.85 ALDH1A1 (0.67) ALDH1A1TSHRTAAR1NOS1ACHE
SCHEMBL19422033 0.83 TAAR1 (0.48) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6
SCHEMBL24927879 0.83 AOC3 (0.59) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6
SCHEMBL24758551 0.83 TAAR1 (0.48) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6
SCHEMBL18378603 0.82 CYP2D6 (0.57) ALDH1A1TSHRTAAR1IDO1CYP2D6
SCHEMBL12124993 0.81 CYP2D6 (0.53) TAAR1IDO1HSP90AA1CYP2D6CYP2C9
Trimethylammonium SCHEMBL6257520 0.80 TAAR1 (0.50) ALDH1A1TSHRTAAR1IDO1HSP90AA1
SCHEMBL30698368 0.80 TAAR1 (0.50) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6
SCHEMBL10778632 0.80 TAAR1 (0.50) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6
SCHEMBL295348 0.80 TAAR1 (0.50) ALDH1A1TAAR1IDO1HSP90AA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053198-A1 HALF-DRY SMELL COMPOSITION AND MASKING FRAGRANCE COMPOSITION 高砂香料工業株式会社 2025-03-13 WO disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
WO-2024042316-A1 PYRIDO-PYRAZOLES AS INHIBITORS OF DDR'S FOR THE TREATMENT OF FIBROTIC DISORDERS AND CANCER REDX PHARMA PLC. (GB) 2024-02-29 WO disclosed
CN-117531520-A Catalyst and preparation method and application thereof 厦门大学 2024-02-09 CN disclosed
WO-2024027109-A1 CATALYST, PREPARATION METHOD THEREFOR AND USE THEREOF XIAMEN UNIVERSITY (CN) 2024-02-08 WO disclosed
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-01-25 US disclosed
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-01-25 US disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
WO-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 WO disclosed
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 US disclosed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 US disclosed
US-20030125448-A1 A butadiene-styrene copolymer having end terminals modified with a tin compound and amino compound; molecular weight distribution, tire rolling resistance, hysteresis-free, wear resistance GOODYEAR TIRE & RUBBER COMPANY, THE 2003-07-03 US disclosed
EP-1318172-A1 Pneumatic tire having a rubber component containing a tin/amino functionalized rubber and an inversion carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 2003-06-11 EP disclosed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 US disclosed
EP-1085030-A2 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring Degussa-Hüls Aktiengesellschaft (DE) 2001-03-21 EP disclosed
US-6191234-B1 CONJUGATED DIENE-AROMATIC VINYL COPOLYMER OBTAINED BY MODIFYING POLYMER WITH A AMINO GROUP IS USED TO IMPROVE WET SKID RESISTANCE, WEAR RESISTANCE OF AUTOMOBILE TIRE TREAD JSR CORPORATION (JP) 2001-02-20 US disclosed
EP-0924227-A1 Conjugated diolefin-based copolymer rubber and composition thereof JSR Corporation (JP) 1999-06-23 EP disclosed
US-4918215-A 4-halogenostilbene derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed
US-4533505-A REACTION OF ETHYLENE IWITH ACID HALIDES IN THE PRESENCE OF A BASE AND A PALLADIUM CATALYST CIBA-GEIGY CORPORATION (US) 1985-08-06 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 (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-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF CNR1, CNR2, FAAH ALDH1A1 3920/4885TSHR 3574/4885TAAR1 1435/4885

“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.