SCHEMBL10155552

SCHEMBL10155552

CCCCCC(C#N)CCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.37
CA2 P00918 1/20 0.37
FDPS P14324 4/20 0.36
GPR84 Q9NQS5 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL13763312 0.97 DNM1 (0.48) TSHRDNM1OPRM1LMNATHRB
SCHEMBL13067705 0.97 DNM1 (0.48) TSHRDNM1OPRM1LMNATHRB
SCHEMBL22625454 0.97 DNM1 (0.48) TSHRDNM1OPRM1LMNATHRB
SCHEMBL1131040 0.97 TSHR (0.48) TSHRDNM1OPRM1LMNATHRB
SCHEMBL24044418 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB
SCHEMBL13601912 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB
SCHEMBL4745188 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB
SCHEMBL366647 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB
SCHEMBL12844942 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB
SCHEMBL985792 0.94 TSHR (0.46) TSHRDNM1OPRM1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478241-A Preparation method of arylformyl formic ether 山东京博生物科技有限公司 2022-05-13 CN claimed
CN-116217590-A Spiro compound, preparation method and application thereof 中国科学院上海药物研究所 2023-06-06 CN disclosed
CN-110845364-B Preparation method of nitrile compound with formamide as cyanogen source 湘潭大学 2023-02-03 CN disclosed
CN-114478241-A Preparation method of arylformyl formic ether 山东京博生物科技有限公司 2022-05-13 CN disclosed
EP-3266783-A1 DERIVATIVES OF AZA ADAMANTANES AND USES THEREOF Connexios Life Sciences Pvt. Ltd. (IN) 2018-01-10 EP disclosed
EP-2794607-B1 DERIVATIVES OF AZA ADAMANTANE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-05-10 EP disclosed
EP-2794607-A1 DERIVATIVES OF AZA ADAMANTANE AND USES THEREOF Connexios Life Sciences Pvt. Ltd. (IN) 2014-10-29 EP disclosed
WO-2013111150-A1 DERIVATIVES OF AZA ADAMANTANE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2013-08-01 WO disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 TSHR 269/4885DNM1 1913/4885OPRM1 2183/4885

“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.