SCHEMBL18000

SCHEMBL18000

COC1(C#N)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.35
PDE4A P27815 3/20 0.32
PDE7A Q13946 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
SCHEMBL30352336 0.92
SCHEMBL16785310 0.86
SCHEMBL11403219 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2565188 0.74
SCHEMBL15942714 0.74 ALDH1A1 (0.46) ALDH1A1
SCHEMBL3330004 0.74 MEN1 (0.31)
SCHEMBL4041858 0.74
SCHEMBL4127530 0.73 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL491578 0.73 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL5459307 0.73 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-13 US disclosed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN disclosed
CN-1479618-A Treatment of sexual dysfunction with bombesin antagonists ����-�����ع�˾ 2004-03-03 CN 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-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX3, P2RX7, P2RX1 ALDH1A1 1255/4885GAA 2309/4885PDE4A 1049/4885

“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.