SCHEMBL904814

SCHEMBL904814

CC(C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.49
CYP19A1 P11511 6/20 0.46
SCN5A Q14524 1/20 0.43
KMT2A Q03164 3/20 0.42
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 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
SCHEMBL12243769 0.83 AOC3 (0.39) CACNA1BLMNAHTTAOC3
SCHEMBL12197679 0.82 AOC3 (0.55) KMT2ALMNAMEN1AOC3
SCHEMBL904927 0.81 CYP19A1 (0.47) CACNA1BCYP19A1SCN5AKMT2AMITF
SCHEMBL6568692 0.80 HRH1 (0.58) SCN5AKMT2ALMNAHTTALDH1A1
SCHEMBL7789674 0.79 CYP19A1 (0.46) CACNA1BCYP19A1SCN5AKMT2AMITF
SCHEMBL6700730 0.78 CYP19A1 (0.49) CACNA1BCYP19A1SCN5AMITFLMNA
SCHEMBL14288444 0.78 TBXA2R (0.46) CACNA1BCYP19A1SCN5AKMT2AMAPK1
SCHEMBL2862310 0.77 HRH1 (0.65) CACNA1BCYP19A1SCN5ASLC6A3
SCHEMBL5864161 0.77 CYP19A1 (0.47) CACNA1BCYP19A1SCN5AMITFLMNA
SCHEMBL318816 0.77 CYP19A1 (0.47) CACNA1BCYP19A1SCN5AKMT2AMITF

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 7 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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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 (3 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 CACNA1B 751/4885CYP19A1 1069/4885SCN5A 1057/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CACNA1B 28/4885CYP19A1 688/4885SCN5A 208/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CACNA1B 751/4885CYP19A1 1069/4885SCN5A 1057/4885

“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.