SCHEMBL1806733

SCHEMBL1806733

ClN1CC[C@@H]2CNC[C@H]2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.36
HTR2B P41595 5/20 0.35
HTR2A P28223 4/20 0.35
CCR5 P51681 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
BPTF Q12830 1/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
BACE1 P56817 2/20 0.32
ADRB1 P08588 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL2598180 1.00 HTR2C (0.36) HTR2CHTR2BHTR2ACCR5CHRNB4
SCHEMBL1804674 0.81 HRH1 (0.39) HTR2CHTR2BHTR2ACCR5CHRNB4
SCHEMBL1804670 0.81 HRH1 (0.39) HTR2CHTR2BHTR2ACCR5CHRNB4
SCHEMBL1804672 0.81 HRH1 (0.39) HTR2CHTR2BHTR2ACCR5CHRNB4
SCHEMBL1803541 0.79 CACNA1G (0.43)
SCHEMBL1803543 0.79 CACNA1G (0.43)
SCHEMBL1803544 0.79 CACNA1G (0.43)
SCHEMBL19227934 0.78 L3MBTL1 (0.35) HTR2CHTR2BHTR2ACCR5CHRNB4
SCHEMBL1802394 0.76 NOTUM (0.48)
SCHEMBL1802395 0.76 NOTUM (0.48)

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-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885HTR2B 16/4885HTR2A 5/4885

“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.