SCHEMBL4391732

SCHEMBL4391732

OC1CCCN(CC(Cc2ccccc2)C2=COCO2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
LTA4H P09960 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
OPRK1 P41145 2/20 0.36
CYP2D6 P10635 2/20 0.36
ACE P12821 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4398323 0.81 KDM4E (0.38) ALDH1A1KDM4EKMT2AMEN1CYP2D6
SCHEMBL5656404 0.79 NPC1 (0.43) KMT2AMEN1TSHRNPC1LTA4H
SCHEMBL4395886 0.77 HPGD (0.47) ALDH1A1KMT2AMEN1TSHRHPGD
SCHEMBL3784355 0.76 SIGMAR1 (0.44) ALDH1A1KMT2AMEN1TSHRLTA4H
SCHEMBL5774496 0.76 TSHR (0.41) ALDH1A1KMT2ATSHRPOLBHPGD
SCHEMBL4889326 0.76 MEN1 (0.43) ALDH1A1KMT2AMEN1TSHRCYP2D6
SCHEMBL8499574 0.74 PRMT5 (0.48) POLBHTT
SCHEMBL1299631 0.74 SIGMAR1 (0.52) ALDH1A1KDM4EKMT2ATSHRPOLB
SCHEMBL5750199 0.73 GRIN2D (0.40) ALDH1A1TSHRHTTOPRK1CYP2D6
Hydrochloric Acid SCHEMBL1299136 0.73 SIGMAR1 (0.51) ALDH1A1KDM4EKMT2AMEN1TSHR

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-20090005309-A1 SUBSTITUTED PIPERIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008144602-A1 DEUTERATED ZAMIFENACIN DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090005309-A1 SUBSTITUTED PIPERIDINES CHRM3, CHRM2, CHRM5 ALDH1A1 397/4885KDM4E 2817/4885KMT2A 3664/4885

“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.