SCHEMBL12026514

SCHEMBL12026514

CC(C)(C)N1CC(c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.51
▸ CHRNB2 P17787 4/20 0.44
▸ CHRNA4 P43681 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ CHRNB4 P30926 2/20 0.44
▸ CHRNA3 P32297 2/20 0.44
▸ CHRNA2 Q15822 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ PSIP1 O75475 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL14805866 0.87 CYP11B2 (0.50) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL13841172 0.85 CYP11B2 (0.55) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL13841158 0.83 CYP11B2 (0.57) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL11546704 0.80 CYP11B2 (0.56) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL12026519 0.80 ATM (0.33) —
SCHEMBL12026521 0.78 TP53 (0.40) LMNATDP1MAPT
SCHEMBL20782183 0.77 BRD4 (0.44) ALDH1A1MAPT
SCHEMBL23374726 0.77 CYP11B2 (0.53) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL12030758 0.76 CYP11B2 (0.51) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL24188522 0.76 CYP11B2 (0.51) CYP11B2CHRNB2CHRNA4ALDH1A1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US 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-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP11B2 192/4885CHRNB2 1591/4885CHRNA4 1068/4885

“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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