SCHEMBL1804672

SCHEMBL1804672

CN1CC[C@@H]2CNC[C@H]2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39
RAD52 P43351 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
BPTF Q12830 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 4/20 0.33
HTR2A P28223 3/20 0.33
ACHE P22303 2/20 0.33
CCR5 P51681 1/20 0.32

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
SCHEMBL1804670 1.00 HRH1 (0.39) HRH1HTR6RAD52CHRNB4CHRNA3
SCHEMBL1804674 1.00 HRH1 (0.39) HRH1HTR6RAD52CHRNB4CHRNA3
SCHEMBL2598180 0.81 HTR2C (0.36) HRH1HTR6CHRNB4CHRNA3BPTF
SCHEMBL1806733 0.81 HTR2C (0.36) HRH1HTR6CHRNB4CHRNA3BPTF
SCHEMBL1802395 0.79 NOTUM (0.48)
SCHEMBL1802394 0.79 NOTUM (0.48)
SCHEMBL1802396 0.79 NOTUM (0.48)
SCHEMBL19227934 0.78 L3MBTL1 (0.35) HRH1HTR6CHRNB4CHRNA3BPTF
SCHEMBL1803696 0.77 HTR2C (0.38) HTR2CHTR2BHTR2A
SCHEMBL1803695 0.77 HTR2C (0.38) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
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 HRH1 79/4885HTR6 19/4885RAD52 1878/4885

“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.