SCHEMBL4964888

SCHEMBL4964888

O=C1c2ncc3c(c(CCN4CCCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CACNA1B Q00975 2/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNG1 Q06432 1/20 0.38
▸ CACNB2 Q08289 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38

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
SCHEMBL4964507 0.93 MEN1 (0.41) ALDH1A1CYP3A4CYP2D6CYP2C19MCHR1
SCHEMBL4964658 0.92 CACNA1B (0.44) ALDH1A1CYP3A4CYP2D6CYP2C19CACNA1B
SCHEMBL1198652 0.91 CACNA1B (0.46) ALDH1A1CACNA1BCACNA1GCACNB4CACNA1A
SCHEMBL4964779 0.91 CACNA1B (0.46) ALDH1A1CACNA1BCACNA1GCACNB4CACNA1A
SCHEMBL14506537 0.89 MEN1 (0.35) ALDH1A1CYP3A4CYP2D6CYP2C19CACNA1B
SCHEMBL4964461 0.88 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6CYP2C19CACNA1B
SCHEMBL4966394 0.88 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6CYP2C19CACNA1B
SCHEMBL4967431 0.88 KMT2A (0.40) ALDH1A1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL5427942 0.87 CYP11B1 (0.40) ALDH1A1CYP3A4CYP2D6CYP2C19CACNA1B
SCHEMBL4963385 0.87 MEN1 (0.36) ALDH1A1CYP3A4CYP2D6CYP2C19MEN1

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
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP ALDH1A1 437/4885CYP3A4 28/4885CYP2D6 93/4885

“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.

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