SCHEMBL607740

SCHEMBL607740

NCc1ccccc1Cc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.62
TAAR1 Q96RJ0 3/20 0.53
MAOB P27338 2/20 0.47
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
MPO P05164 1/20 0.44
HTR2A P28223 1/20 0.44
BACE1 P56817 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
SCHEMBL5718444 0.81 PNMT (0.52) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL7372584 0.81 PNMT (0.52) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL14685914 0.81 PNMT (0.50) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL608449 0.79 PNMT (0.50) PNMTTAAR1MAOBCYP3A4HTR2A
SCHEMBL38660847 0.78 PNMT (0.47) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL29585607 0.78
SCHEMBL1238833 0.78 HTR2A (0.68) PNMTTAAR1HTR2A
SCHEMBL5311 0.78
SCHEMBL3300276 0.77 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
Iodide SCHEMBL31185484 0.76 PNMT (0.95) PNMTTAAR1MAOBCYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 PNMT 2745/4885TAAR1 2357/4885MAOB 2180/4885

“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.