SCHEMBL605027

SCHEMBL605027

Cc1ccc(Cc2ccccc2CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
TAAR1 Q96RJ0 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
PNMT P11086 1/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 1/20 0.39
AGXT P21549 1/20 0.39
SLC5A2 P31639 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
IDO1 P14902 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL9403954 0.89 SLC6A2 (0.47) HTR2ATAAR1CYP1A2CYP2A6SLC6A2
SCHEMBL2140027 0.85 HTR2A (0.54) HTR2ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL1238833 0.82 HTR2A (0.68) HTR2ATAAR1CYP2A6PNMTDPP4
SCHEMBL6547993 0.81 POLB (0.45) HTR2ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL6378299 0.80 POLB (0.51) TAAR1POLBKEAP1SLC5A2CYP3A4
SCHEMBL608449 0.79 PNMT (0.50) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11658684 0.79 POLB (0.44) HTR2ATAAR1CYP1A2CYP2A6POLB
SCHEMBL16153738 0.79 TAAR1 (0.47) HTR2ATAAR1CYP1A2CYP2A6POLB
SCHEMBL607838 0.79 BCL2 (0.47) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6546751 0.78 HTR2A (0.47) HTR2ATAAR1CYP1A2CYP2A6SLC6A2

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 HTR2A 2551/4885TAAR1 2357/4885CYP1A2 1252/4885

“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.