SCHEMBL1805149

SCHEMBL1805149

CN1CC[C@@H]2CN(C(=O)O)C[C@H]2c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
HRH1 P35367 1/20 0.38
HTR6 P50406 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HSD11B1 P28845 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
NOTUM Q6P988 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1805148 1.00 HTR2A (0.40) HTR2AHTR2CKDM4CHRH1HTR6
SCHEMBL1805150 1.00 HTR2A (0.40) HTR2AHTR2CKDM4CHRH1HTR6
SCHEMBL1809206 0.84 NOTUM (0.49) NOTUMCREBBP
SCHEMBL1809209 0.84 NOTUM (0.49) NOTUMCREBBP
SCHEMBL1809207 0.84 NOTUM (0.49) NOTUMCREBBP
SCHEMBL1804593 0.80 SIGMAR1 (0.48) HTR2AHTR2CHRH1HTR6HDAC6
SCHEMBL1804592 0.80 SIGMAR1 (0.48) HTR2AHTR2CHRH1HTR6HDAC6
SCHEMBL1804594 0.80 SIGMAR1 (0.48) HTR2AHTR2CHRH1HTR6HDAC6
SCHEMBL1807343 0.80 NOTUM (0.42) HTR2AHTR2CHSD11B1NOTUMMAPT
SCHEMBL1806367 0.80 CACNA1G (0.45) HTR2AHTR2CTRPV1

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 3 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 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 HTR2A 5/4885HTR2C 4/4885KDM4C 1180/4885

“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.