SCHEMBL2323985

SCHEMBL2323985

OCCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.73
POLB P06746 2/20 0.58
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 8/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL6913288 0.92 OPRL1 (0.70) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL2877688 0.89 OPRL1 (0.77) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL11195174 0.86 OPRL1 (0.77) OPRL1POLBCCR3SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL11193622 0.84 OPRL1 (0.75) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL2360601 0.84 OPRL1 (0.70) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL2328504 0.84 OPRL1 (0.70) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL5780725 0.83 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6911078 0.82 OPRL1 (0.71) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL350525 0.81 OPRL1 (0.65) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL28695591 0.80 OPRL1 (0.46) OPRL1SIGMAR1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
CN-102216305-B Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN LA ROCHE 2013-12-18 CN disclosed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
CN-102216305-A Spiro-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2356123-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010054961-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 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-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B OPRL1 10/4885POLB 3759/4885CCR3 2224/4885
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 OPRL1 4407/4885POLB 1507/4885CCR3 4195/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 OPRL1 4597/4885POLB 1230/4885CCR3 4210/4885

“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.