SCHEMBL6575422

SCHEMBL6575422

CN(C)C(Cc1ccc2ccccc2c1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
CASR P41180 2/20 0.40
MAOB P27338 1/20 0.39
GHSR Q92847 1/20 0.38
TACR1 P25103 2/20 0.38
BCHE P06276 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
PYCR1 P32322 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
SCHEMBL6575417 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BSIGMAR1MMP9
SCHEMBL6577672 0.85 OPRK1 (0.43) HTR2ASIGMAR1CYP1A2CYP2A6
SCHEMBL6577676 0.85 OPRK1 (0.43) HTR2ASIGMAR1CYP1A2CYP2A6
SCHEMBL6579394 0.78 HTR2A (0.53) HTR2AHTR2CHTR2BSIGMAR1CYP1A2
SCHEMBL6579390 0.78 HTR2A (0.53) HTR2AHTR2CHTR2BSIGMAR1CYP1A2
SCHEMBL6580073 0.73 TRPA1 (0.41) HTR2ACYP1A2
SCHEMBL6580062 0.73 TRPA1 (0.41) HTR2ACYP1A2
SCHEMBL6577648 0.69 TRPA1 (0.46) HTR2ACYP1A2
SCHEMBL6577654 0.69 TRPA1 (0.46) HTR2ACYP1A2
SCHEMBL809100 0.68 SLC6A2 (0.44) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A HTR2A 2041/4885HTR2C 1428/4885HTR2B 2419/4885

“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.