SCHEMBL2940408

SCHEMBL2940408

CC(=O)C(CCCl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.30
ENPEP Q07075 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL10576164 0.85 CA2 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9392724 0.83 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9705800 0.83 ENPEP (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27667016 0.80 MGAM (0.33)
SCHEMBL12851375 0.78 GPR84 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11587400 0.76 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL65535 0.76 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6922740 0.76 GPR84 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL223020 0.76 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28559675 0.75 ALDH1A1 (0.41) TDP1TSHRLMNAMAPK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551026-A Preparation method and application of nicardipine hydrochloride impurity 成都地奥九泓制药厂 2024-02-13 CN disclosed
WO-2015189433-A1 PYRIDAZINONES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-17 WO disclosed
EP-2955182-A1 Pyridazinones for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-16 EP disclosed
EP-1765830-B1 MITOTIC KINESIN INHIBITORS MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20100081839-A1 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LTD. (IN) 2010-04-01 US disclosed
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
EP-2114957-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA Laboratories Limited (IN) 2009-11-11 EP disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I IPCA LABORATORIES LIMITED (IN) 2008-08-07 US disclosed
WO-2008093357-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LIMITED (IN) 2008-08-07 WO disclosed
EP-1765830-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006023083-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-03-02 WO disclosed
WO-2006007491-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-01-19 WO disclosed
EP-0392037-A1 Process for the preparation of syn-aminothiazolyl and syn-amino-oxazolyl derivatives of alkoxyiminoacetic acids TECHNOLOGITCHEN KOMBINAT ZA PROMISHLENA MIKROBIOLOGIA (BG) 1990-10-17 EP disclosed
US-4806534-A SMOOTH MUSCLE RELAXANT, CALCIUM ANTAGONIST RECORDATI S.A., CHEMICAL & PHARMACEUTICAL COMPANY (CH) 1989-02-21 US disclosed
US-4064166-A FROM CHLOROACETONE OR 3-CHLOROACETYLACETONE AND A SULFONATED POLYPHENOL INTERNATIONAL TELEPHONE AND TELEGRAPH CORPORATION (US) 1977-12-20 US disclosed
US-3970691-A Etherification of bark extracts INTERNATIONAL TELEPHONE AND TELEGRAPH CORPORATION (US) 1976-07-20 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-20100081839-A1 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I VKORC1, VKORC1L1, PTGER1 CHRM1 720/4885AKR1A1 134/4885CHRM3 1065/4885
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I CYP2S1, CYP2F1, VKORC1L1 CHRM1 899/4885AKR1A1 1060/4885CHRM3 968/4885
US-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B CHRM1 4803/4885AKR1A1 837/4885CHRM3 4620/4885

“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.