SCHEMBL15524912

SCHEMBL15524912

OC1(c2ccc(CBr)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
DRD2 P14416 3/20 0.37
OPRL1 P41146 7/20 0.37
CCR3 P51677 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL6482123 0.79 ABAT (0.43) HRH3DRD2OPRL1CCR3OPRM1
SCHEMBL20300595 0.79 DRD2 (0.41) HRH3DRD2OPRL1CCR3OPRM1
SCHEMBL20267018 0.79 OPRL1 (0.54) HRH3DRD2OPRL1CCR3OPRM1
SCHEMBL748761 0.76 OPRM1 (0.50) HRH3DRD2OPRL1OPRM1OPRD1
SCHEMBL22545205 0.75 NCF1 (0.44) HRH3DRD2OPRL1OPRM1OPRD1
SCHEMBL10233100 0.73 OPRL1 (0.53) HRH3DRD2OPRL1OPRM1OPRD1
SCHEMBL8747860 0.73 TRPA1 (0.34) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL250988 0.73 HRH3 (0.43) HRH3OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL30004145 0.73 CA2 (0.50) HRH3SMN1; SMN2
SCHEMBL21051570 0.73 ESR2 (0.56) HRH3DRD2OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
EP-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 WO disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC HRH3 1030/4885DRD2 3529/4885OPRL1 634/4885
US-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HRH3 889/4885DRD2 3416/4885OPRL1 327/4885

“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.