SCHEMBL10248078

SCHEMBL10248078

CC(C)CCCN1C(=O)COc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CHRM1 P11229 4/20 0.55
DRD2 P14416 3/20 0.55
HTR2A P28223 3/20 0.55
MCHR1 Q99705 2/20 0.55
ALDH1A1 P00352 1/20 0.52
ALOX12 P18054 1/20 0.52
SMPD1 P17405 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD4 P21917 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
HTR1A P08908 1/20 0.48

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
SCHEMBL15423257 0.96 POLB (0.55) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL764345 0.85 POLB (0.55) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL16264966 0.84 DRD2 (0.58) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL4058329 0.82 ALDH1A1 (0.56) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL15423258 0.82 DRD2 (0.56) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL1764705 0.81 ALDH1A1 (0.55) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL20774003 0.81 ALDH1A1 (0.55) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL318658 0.81 TSHR (0.58) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL9214610 0.81 ALDH1A1 (0.58) POLBHSD17B10CHRM1DRD2HTR2A
SCHEMBL7461682 0.81 SMPD1 (0.53) POLBHSD17B10CHRM1DRD2HTR2A

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-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US 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 (2 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 POLB 4194/4885HSD17B10 1611/4885CHRM1 65/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 POLB 4194/4885HSD17B10 1611/4885CHRM1 65/4885

“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.