SCHEMBL6407259

SCHEMBL6407259

c1ccc2[nH]c(C3CNCCN3c3cc4ccccc4[nH]3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTR2C P28335 12/20 0.39
HTR2B P41595 11/20 0.39
HTR2A P28223 7/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2D6 P10635 1/20 0.39
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8985939 0.77 HRH4 (0.42) HRH3HRH4HTR2CHTR2BHTR2A
SCHEMBL27429839 0.74 HRH3 (0.37) HRH3HRH4SLC6A2SLC6A4SLC6A3
SCHEMBL92726 0.71 HRH3 (0.53) HRH3HRH4HTR2CHTR2ASLC6A4
SCHEMBL38661680 0.71 HRH3 (0.53) HRH3HRH4HTR2CHTR2ASLC6A4
SCHEMBL7385487 0.68 PARP1 (0.41) HRH3HRH4
SCHEMBL2467564 0.67 HTR2A (0.49) HTR2CHTR2A
SCHEMBL13162089 0.66 HRH3 (0.42) HRH3HRH4
SCHEMBL9704857 0.66 DRD2 (0.50) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13634946 0.66 CHRNB2 (0.50) HRH3HTR2CHTR2A
SCHEMBL1237690 0.65 MAOB (0.49) HRH3HRH4HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841685-B2 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2005-01-11 US disclosed
US-20030232988-A1 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY,THE 2003-12-18 US disclosed
WO-2001094310-A1 METHODS FOR MAKING BIS-HETEROCYCLIC ALKALOIDS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2001-12-13 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-20030232988-A1 Methods for making bis-heterocyclic alkaloids CIAPIN1, AAAS, MDN1 HRH3 1423/4885HRH4 1345/4885HTR2C 1903/4885

“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.