SCHEMBL2801416

SCHEMBL2801416

CC1=Cc2ccccc2C12CCN(C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.37
APP P05067 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
P2RX1 P51575 2/20 0.36
P2RX3 P56373 2/20 0.36
P2RX4 Q99571 2/20 0.36
NPY5R Q15761 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13085572 0.81 CYP1A2 (0.45) OPRM1MAPK1KMT2A
SCHEMBL30667240 0.81 ESR1 (0.35) CYP2C19EGLN1NOTUM
SCHEMBL8311798 0.76 THRB (0.44) OPRM1MAPTUSP2ALDH1A1MEN1
SCHEMBL29804768 0.75 GPR84 (0.35) OPRM1
SCHEMBL4981374 0.74 OPRL1 (0.55) OPRM1MAPTALDH1A1EGLN1
SCHEMBL4981373 0.74 OPRL1 (0.55) OPRM1MAPTALDH1A1EGLN1
SCHEMBL9052325 0.73 OPRM1 (0.58) OPRM1MEN1KMT2ACYP2D6
SCHEMBL2801412 0.72 OPRM1 (0.53) OPRM1
SCHEMBL5373284 0.72 OPRM1 (0.60) OPRM1APP
SCHEMBL2315258 0.70 OPRM1 (0.54) OPRM1MEN1KMT2A

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 OPRM1 4885/4885MAPT 2533/4885USP2 4168/4885

“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.