SCHEMBL10248082

SCHEMBL10248082

CC(C)CCCn1c(C(=O)OC(C)(C)C)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCL1 Q07820 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL319362 0.86 CNR2 (0.52) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL16264927 0.86 CNR2 (0.54) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL19410240 0.79 KMT2A (0.52) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL28156129 0.77 KMT2A (0.46) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL17995256 0.76 MCL1 (0.61) MCL1MEN1KMT2A
SCHEMBL4929242 0.76 MTNR1A (0.60) CNR2MTNR1AMTNR1BKMT2A
SCHEMBL27320350 0.75 MTNR1A (0.54) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL7879892 0.73 MTNR1A (0.69) CNR2MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL6049263 0.72 MCL1 (0.44) CNR2MTNR1AMTNR1BMCL1ALDH1A1
SCHEMBL29937110 0.72 MTNR1A (0.65) CNR2MTNR1AMTNR1BKDM4ECRHBP

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 CNR2 33/4885MTNR1A 119/4885MTNR1B 73/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CNR2 33/4885MTNR1A 119/4885MTNR1B 73/4885

“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.