SCHEMBL2801412

SCHEMBL2801412

CC1=Cc2ccccc2C12CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
HTR2A P28223 4/20 0.42
HTR2C P28335 3/20 0.42
DRD2 P14416 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
BACE1 P56817 1/20 0.39
HTR2B P41595 1/20 0.36
ADRB1 P08588 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
AKT2 P31751 1/20 0.32

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
SCHEMBL29804768 0.81 GPR84 (0.35) OPRM1SLC6A2SLC6A4GPR84
SCHEMBL13085572 0.77 CYP1A2 (0.45) OPRM1HTR2AHTR2CDRD2SLC6A4
SCHEMBL30667253 0.75 TSHR (0.38) GPR84TSHR
SCHEMBL27213000 0.75 TSHR (0.38) GPR84TSHR
SCHEMBL30666538 0.72 CRBN (0.40) GPR84TSHR
SCHEMBL27213006 0.72 CRBN (0.40) GPR84TSHR
SCHEMBL2801416 0.72 OPRM1 (0.41) OPRM1
SCHEMBL30667240 0.71 ESR1 (0.35) GPR84
SCHEMBL29731975 0.70 MEN1 (0.37) OPRM1SLC6A4GPR84
SCHEMBL8819695 0.70 OPRM1 (0.38) OPRM1HTR2AHTR2CDRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
EP-1881014-B1 ALPHA-OLEFIN/UNCONJUGATED CYCLIC POLYENE COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND CROSSLINKABLE COMPOSITION CONTAINING THE COPOLYMER MITSUI CHEMICALS INC (JP) 2012-05-23 EP disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20090234073-A1 Alpha-Olefin/non-conjugated cyclic polyene copolymers, production processes thereof, and crosslinkable compositions including the copolymer MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
EP-1881014-A1 -OLEFIN/UNCONJUGATED CYCLIC POLYENE COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND CROSSLINKABLE COMPOSITION CONTAINING THE COPOLYMER Mitsui Chemicals, Inc. (JP) 2008-01-23 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1586591-A1 PROCESS FOR PRODUCING ETHYLENE/a-OLEFIN/UNCONJUGATED POLYENE COPOLYMER AND ETHYLENE/a-OLEFIN/UNCONJUGATED POLYENE COPOLYME R Mitsui Chemicals, Inc. (JP) 2005-10-19 EP disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 OPRM1 527/4885HTR2A 1174/4885HTR2C 1851/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 OPRM1 627/4885HTR2A 1145/4885HTR2C 1811/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 OPRM1 4885/4885HTR2A 4769/4885HTR2C 4834/4885

“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.