SCHEMBL2802804

SCHEMBL2802804

O=C1CC2(CCN(C(=O)O)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
CRBN Q96SW2 2/20 0.42
DDB1 Q16531 1/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPY5R Q15761 5/20 0.39
CCR5 P51681 1/20 0.38
RIPK1 Q13546 1/20 0.37
RBP4 P02753 1/20 0.37
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16328197 0.86 HRH3 (0.57) HRH3ALDH1A1
SCHEMBL1572566 0.82 HRH3 (0.51) HRH3CRBNDDB1ALDH1A1NPY5R
SCHEMBL13227677 0.82 HRH3 (0.54) HRH3CRBNDDB1ALDH1A1OPRM1
SCHEMBL16133545 0.81 HRH3 (0.46) HRH3ALDH1A1OPRM1SIGMAR1CCR5
SCHEMBL25358288 0.81 HRH3 (0.48) HRH3CRBNDDB1ALDH1A1OPRM1
SCHEMBL13227675 0.81 HRH3 (0.48) HRH3CRBNDDB1ALDH1A1OPRM1
SCHEMBL3287322 0.81 HRH3 (0.54) HRH3ALDH1A1OPRM1SIGMAR1CCR5
SCHEMBL13518434 0.81 HRH3 (0.48) HRH3CRBNDDB1ALDH1A1OPRM1
SCHEMBL4977356 0.80 HRH3 (0.55) HRH3
SCHEMBL4977361 0.80 HRH3 (0.55) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601239-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS Jacobio Pharmaceuticals Co., Ltd. (CN) 2020-02-05 EP disclosed
WO-2018172984-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2018-09-27 WO disclosed
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-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 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 (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 HRH3 2544/4885CRBN 4243/4885DDB1 1924/4885

“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.