SCHEMBL743887

SCHEMBL743887

c1cc2c3c(c1)NCC3CCNC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
CD44 P16070 2/20 0.36
PNMT P11086 1/20 0.36
MAOB P27338 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2C P28335 3/20 0.33

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
SCHEMBL4501455 0.76 OPRL1 (0.35)
SCHEMBL16353671 0.75 HTR2C (0.47) HTR2ACD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL16353822 0.73 HTR2C (0.46) HTR2ACD44PNMTMAOBHTR2C
SCHEMBL18440762 0.71 HTR2C (0.41) CD44PNMTMAOBHTR2C
SCHEMBL5138055 0.69 PARP1 (0.43)
SCHEMBL4510414 0.68 OPRM1 (0.35)
SCHEMBL18440616 0.68 HTR2C (0.40) HTR2ACD44PNMTMAOBSLC18A3
SCHEMBL18495112 0.68 HTR2C (0.40) HTR2ACD44PNMTMAOBSLC18A3
SCHEMBL29791584 0.68 HTR2C (0.40) HTR2ACD44PNMTMAOBSLC18A3
SCHEMBL18494284 0.68 HTR2C (0.40) HTR2ACD44PNMTMAOBSLC18A3

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR2A 9/4885CD44 3895/4885PNMT 234/4885

“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.