SCHEMBL14815875

SCHEMBL14815875

c1nc(C2CC2)cnc1O[C@H]1C[C@H]2CNCCN2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ NAAA Q02083 2/20 0.30

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
SCHEMBL14815440 1.00 HTR2C (0.32) HTR2CHTR2BHTR2AHTR6HRH3
SCHEMBL14814627 0.80 NAAA (0.32) HRH3KCNH2NAAA
Hydrochloric Acid SCHEMBL15794162 0.80 — —
Hydrochloric Acid SCHEMBL15799723 0.80 — —
Hydrochloric Acid SCHEMBL15793527 0.80 — —
Hydrochloric Acid SCHEMBL15793605 0.80 — —
SCHEMBL14814706 0.79 — —
SCHEMBL20328287 0.79 CNR2 (0.32) HRH3NAAA
SCHEMBL14814796 0.79 KDM4E (0.37) HRH3KCNH2
Hydrochloric Acid SCHEMBL14816048 0.78 — —

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A HTR2C 349/4885HTR2B 258/4885HTR2A 229/4885

“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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