SCHEMBL3029197

SCHEMBL3029197

Clc1c(Br)ccc2c1CO[C@@H]1CCNC[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 2/20 0.33
HTR3A P46098 1/20 0.33
SLC6A2 P23975 8/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A3 Q01959 4/20 0.32
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL3032290 1.00 HTR2C (0.37) HTR2CHTR2AHTR2BHTR6HTR3A
SCHEMBL3032285 1.00 HTR2C (0.37) HTR2CHTR2AHTR2BHTR6HTR3A
SCHEMBL3029201 1.00 HTR2C (0.37) HTR2CHTR2AHTR2BHTR6HTR3A
SCHEMBL8065864 1.00 HTR2C (0.37) HTR2CHTR2AHTR2BHTR6HTR3A
SCHEMBL8071540 0.87 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL8069494 0.87 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL8076081 0.86 HTR2C (0.40) HTR2CHTR2AHTR2BHTR6HTR3A
Hydrochloric Acid SCHEMBL3027859 0.86 HTR2C (0.36) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL8065030 0.86 HTR2C (0.40) HTR2CHTR2AHTR2BHTR6HTR3A
Hydrochloric Acid SCHEMBL3027848 0.86 HTR2C (0.36) HTR2CHTR2AHTR2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 HTR2C 2/4885HTR2A 10/4885HTR2B 15/4885

“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.