SCHEMBL4391667

SCHEMBL4391667

COc1ccc2ccccc2c1C1c2ccccc2CCN1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.51
DRD1 P21728 3/20 0.42
CETP P11597 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMPD1 P17405 1/20 0.40
DRD2 P14416 2/20 0.40
PNPLA2 Q96AD5 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 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
SCHEMBL11948854 0.83 PRCP (0.55) PRCPDRD1HDAC3HDAC1HDAC2
SCHEMBL4388627 0.82 PRCP (0.54) PRCPDRD1MAPTHDAC3HDAC1
SCHEMBL4390219 0.81 DRD2 (0.48) PRCPDRD1HDAC3HDAC1HDAC2
SCHEMBL4544071 0.77 PRCP (0.51) PRCPDRD1HDAC3HDAC1HDAC2
SCHEMBL11956302 0.77 PRCP (0.51) PRCPDRD1HDAC3HDAC1HDAC2
SCHEMBL11948858 0.74 MTNR1A (0.39) MTNR1AMTNR1BMAPT
SCHEMBL30427144 0.73 CETP (0.52) CETPMTNR1AMTNR1BMAPTHTR2A
SCHEMBL28999657 0.73 CETP (0.52) CETPMTNR1AMTNR1BMAPTHTR2A
SCHEMBL4396690 0.73 PRCP (0.49) PRCPDRD1HDAC3HDAC1HDAC2
SCHEMBL29783553 0.70 PRCP (0.72) PRCPDRD1HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 PRCP 2207/4885DRD1 962/4885CETP 3211/4885

“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.