SCHEMBL6419741

SCHEMBL6419741

N#CC(Cl)(c1ccccc1)N1CCc2sccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.40
CYP2C19 P33261 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ABCB11 O95342 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRA2A P08913 2/20 0.40
CYP2B6 P20813 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL1669641 0.79 DRD1 (0.43) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL7238863 0.76 AKR1C3 (0.41) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL8142884 0.69 CYP2C19 (0.44) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL4739953 0.69 AKR1C3 (0.44) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL2913672 0.67 DRD1 (0.44) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL21113562 0.66 DRD1 (0.43) DRD1CYP2C19DRD4DRD3ABCB11
Lithium SCHEMBL29926457 0.66 DRD1 (0.43) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL1986102 0.66 ABCB11 (0.46) DRD1CYP2C19DRD4DRD3ABCB11
Hydrochloric Acid SCHEMBL6615615 0.65 DRD1 (0.45) DRD1CYP2C19DRD4DRD3ABCB11
SCHEMBL28921395 0.64 DRD4 (0.47) DRD1CYP2C19DRD4DRD3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049415-A1 Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives MERCK GENERICS (UK) LIMITED (GB) 2005-03-03 US disclosed
EP-1438314-A1 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE ALPHA-PHENYL-APLPHA(6,7-DIHYDRO-4H-THIENO 3,2-C PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES Merck Generics (UK) Limited (GB) 2004-07-21 EP disclosed
WO-2003035652-A9 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE α-PHENYL-α-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES MERCK GENERICS UK LTD (GB) 2004-04-08 WO disclosed
WO-2003035652-A1 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE α-PHENYL-α-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES MERCK GENERICS [UK] LIMITED (GB) 2003-05-01 WO 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-20050049415-A1 Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives NR1H3, NR1H2, NR1H4 DRD1 835/4885CYP2C19 124/4885DRD4 984/4885

“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.