SCHEMBL21872018

SCHEMBL21872018

CCc1cccc2c1CCCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 6/20 0.47
HTR2C P28335 9/20 0.40
HTR2A P28223 7/20 0.40
HTR1A P08908 6/20 0.40
HTR1D P28221 5/20 0.40
HTR2B P41595 7/20 0.39
HTR6 P50406 2/20 0.39
HTR4 Q13639 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1B P28222 1/20 0.39
HTR7 P34969 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL8405200 0.89 MTNR1B (0.52) MTNR1AMTNR1BGABRA1GABRB2
SCHEMBL20669648 0.82 MTNR1A (0.41) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL8463358 0.82 MTNR1A (0.41) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL20554279 0.82 HTR2C (0.44) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL30289569 0.82 HTR2C (0.44) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL6682400 0.82 MTNR1A (0.44) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL28218012 0.82 MTNR1A (0.41) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL22874980 0.81 HTR2C (0.45) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL29054671 0.81 MTNR1A (0.41) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL10157861 0.81 HTR2C (0.44) MTNR1AMTNR1BHTR2CHTR2AHTR1A

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
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 MTNR1A 297/4885MTNR1B 350/4885HTR2C 2322/4885

“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.