SCHEMBL2883677

SCHEMBL2883677

Cc1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.66
POLB P06746 2/20 0.63
CCR3 P51677 1/20 0.58
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 7/20 0.51
CYP2D6 P10635 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50

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
Hydrochloric Acid SCHEMBL11256637 0.98 POLB (0.66) OPRL1POLBCCR3OPRM1OPRD1
SCHEMBL23780161 0.90 OPRL1 (0.61) OPRL1POLBCCR3OPRM1OPRD1
SCHEMBL30136893 0.86 OPRL1 (0.57) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL16836087 0.86 OPRL1 (0.57) OPRL1POLBCCR3OPRM1OPRD1
SCHEMBL16836251 0.86 OPRL1 (0.57) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL1266987 0.86 OPRL1 (0.58) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL6911078 0.86 OPRL1 (0.71) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL10916463 0.85 OPRL1 (0.70) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL6649554 0.84 OPRL1 (0.56) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL6967833 0.84 OPRL1 (0.56) OPRL1POLBCCR3CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-20170008901-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 OPRL1 7/4885POLB 2449/4885CCR3 1985/4885
US-20170008901-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 OPRL1 7/4885POLB 2449/4885CCR3 1985/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 OPRL1 1/4885POLB 3327/4885CCR3 2157/4885

“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.