SCHEMBL3910446

SCHEMBL3910446

Cc1cccc(C(C)(C)N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
KIF11 P52732 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PARP1 P09874 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.38

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 SCHEMBL23886329 0.98 ACHE (0.48) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL7694753 0.86 ACHE (0.50) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL2247542 0.85 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL2138732 0.85 ESR1 (0.44) KIF11CYP2C19ALDH1A1MAPK1TAAR1
Hydrochloric Acid SCHEMBL18894298 0.82 ESR1 (0.43) KIF11CYP2C19MAPK1TAAR1IDO1
SCHEMBL16231401 0.82 ACHE (0.46) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL29714909 0.80 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL348758 0.80 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL8784697 0.80 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL10409637 0.80 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 EP 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
WO-2023021278-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2023-02-23 WO disclosed
US-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS INC., CHEMOCENTRYX 2022-11-03 US disclosed
WO-2022225832-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CHEMOCENTRYX, INC. (US) 2022-10-27 WO disclosed
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 US disclosed
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 US disclosed
WO-2020182666-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-09-17 WO disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
US-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed
US-4627874-A RICE PRODUCTION IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-12-09 US disclosed
US-4455164-A HALOGENATED DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1984-06-19 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 (8 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-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CXCR1, CXCR5, CXCR6 ACHE 3767/4885KIF11 3253/4885CYP3A4 2802/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ACHE 2966/4885KIF11 3835/4885CYP3A4 1703/4885
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 ACHE 813/4885KIF11 4281/4885CYP3A4 518/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ACHE 7/4885KIF11 2242/4885CYP3A4 1415/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ACHE 5/4885KIF11 1712/4885CYP3A4 1901/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ACHE 62/4885KIF11 3984/4885CYP3A4 459/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG ACHE 2179/4885KIF11 4468/4885CYP3A4 319/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 ACHE 4837/4885KIF11 2769/4885CYP3A4 2578/4885

“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.