SCHEMBL319893

SCHEMBL319893

CC1C(=O)N(CCCCl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC25A P30304 1/20 0.45
CNR2 P34972 4/20 0.40
SCN9A Q15858 1/20 0.40
CNR1 P21554 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
BRD4 O60885 1/20 0.40
CCL2 P13500 1/20 0.40
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL6825068 0.78 CACNA1G (0.55) ALDH1A1MEN1KMT2AF2CACNA1G
SCHEMBL27558500 0.77 AADAT (0.42) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL25521899 0.73 MAOA (0.47) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL19410658 0.73 OPRM1 (0.45) ALDH1A1SCN9ABRD4CCL2OPRM1
SCHEMBL26017423 0.72 BRD4 (0.49) ALDH1A1MEN1KMT2ABRD4CCL2
SCHEMBL769455 0.72 BRD4 (0.49) ALDH1A1MEN1KMT2ABRD4CCL2
SCHEMBL29557464 0.72 BRD4 (0.49) ALDH1A1MEN1KMT2ABRD4CCL2
SCHEMBL19410686 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL9280797 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL5159362 0.72 TSHR (0.58) ALDH1A1MEN1KMT2AF10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 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-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP 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
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (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 ALDH1A1 873/4885MEN1 2011/4885KMT2A 2446/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 ALDH1A1 873/4885MEN1 2011/4885KMT2A 2446/4885

“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.