SCHEMBL12943294

SCHEMBL12943294

C=C(O)c1ccccc1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.53
▸ SLC6A2 P23975 5/20 0.50
▸ SLC6A4 P31645 5/20 0.50
▸ SLC6A3 Q01959 5/20 0.50
▸ HTR1A P08908 4/20 0.50
▸ SLC18A3 Q16572 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ GABRA1 P14867 3/20 0.44
▸ GABRB2 P47870 3/20 0.44
▸ ADRB2 P07550 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
SCHEMBL817421 0.84 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4878097 0.82 HTR2C (0.53) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL28086725 0.80 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL30493303 0.78 HTR2C (0.72) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1006493 0.77 IKBKB (0.53) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7670262 0.77 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10405257 0.77 HTR2C (0.44) HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28243995 0.76 HTR2C (0.53) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10820256 0.76 HTR6 (0.43) SIGMAR1
SCHEMBL817723 0.75 HTR2C (0.45) HTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2011-01-13 — — 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-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 HTR2C 36/4885SLC6A2 1294/4885SLC6A4 878/4885

“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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