SCHEMBL4964779

SCHEMBL4964779

O=C1c2ncc3c(c(CN4CCCCCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 5/20 0.46
▸ CACNB4 O00305 4/20 0.46
▸ CACNA1A O00555 4/20 0.46
▸ CACNA1G O43497 4/20 0.46
▸ CACNG3 O60359 4/20 0.46
▸ CACNA1F O60840 4/20 0.46
▸ CACNA1H O95180 4/20 0.46
▸ CACNB3 P54284 4/20 0.46
▸ CACNA2D1 P54289 4/20 0.46
▸ CACNG7 P62955 4/20 0.46
▸ CACNA1D Q01668 4/20 0.46
▸ CACNB1 Q02641 4/20 0.46
▸ CACNG1 Q06432 4/20 0.46
▸ CACNB2 Q08289 4/20 0.46
▸ CACNA1S Q13698 4/20 0.46
▸ CACNA1C Q13936 4/20 0.46
▸ CACNA1E Q15878 4/20 0.46
▸ CACNA2D4 Q7Z3S7 4/20 0.46
▸ CACNA2D3 Q8IZS8 4/20 0.46
▸ CACNG8 Q8WXS5 4/20 0.46

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
SCHEMBL1198652 1.00 CACNA1B (0.46) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4964658 0.99 CACNA1B (0.44) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4964710 0.92 MEN1 (0.41) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4965952 0.91 HTR6 (0.39) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4964888 0.91 ALDH1A1 (0.42) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL14541744 0.91 CACNA1G (0.48) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5427810 0.89 CACNB4 (0.34) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4964497 0.89 CACNB4 (0.35) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4963385 0.89 MEN1 (0.36) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL4962978 0.87 HTR2A (0.36) CACNA1BCACNB4CACNA1ACACNA1GCACNG3

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 CACNA1B 2999/4885CACNB4 3785/4885CACNA1A 2727/4885

“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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