SCHEMBL4389616

SCHEMBL4389616

CCC(C(=O)O)c1cccc(CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
AKR1C3 P42330 9/20 0.44
AKR1C2 P52895 9/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
POLB P06746 1/20 0.44
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
ACHE P22303 3/20 0.44
KDM4A O75164 1/20 0.43
HTR6 P50406 1/20 0.42

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
SCHEMBL1666938 0.88 AKR1C3 (0.47) NOS1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL4390456 0.86 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL289355 0.84 PPARA (0.50) AKR1C3AKR1C2AKR1C1KDM4A
SCHEMBL2891180 0.81 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1POLB
Benzylamine SCHEMBL726584 0.81 POLB (0.53) POLBKDM4A
SCHEMBL31477054 0.80 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL21609292 0.80 PTGS1 (0.49) NOS1AKR1C3AKR1C2AKR1C1PTGS1
Hydrochloric Acid SCHEMBL11362424 0.80 TAAR1 (0.46) NOS1TAAR1AKR1C3AKR1C2AKR1C1
SCHEMBL4392393 0.78 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL750097 0.78 CPN1 (0.71) AKR1C3AKR1C2AKR1C1PTGS1CPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 NOS1 641/4885TAAR1 1799/4885DRD2 4011/4885

“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.