SCHEMBL7119723

SCHEMBL7119723

COc1cccc([C@@H]2CCN[C@@H](C)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.68
DRD2 P14416 2/20 0.48
ADRA1A P35348 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
HTR7 P34969 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC9A1 P19634 1/20 0.42

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
SCHEMBL7119720 1.00 HTR2C (0.68) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL7119711 1.00 HTR2C (0.68) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL7353514 0.86 HTR2C (0.56) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL7380631 0.86 HTR2C (0.56) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL7380627 0.86 HTR2C (0.56) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL18618488 0.84 HTR2C (0.48) HTR2CDRD2ADRA1AHTR2A
SCHEMBL5758612 0.84 SLC6A2 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5758608 0.84 SLC6A2 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5757803 0.84 SLC6A2 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7970364 0.84 SLC6A2 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3

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
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1244622-A1 A PROCESS FOR PREPARING TRANS-2,4-DISUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001046143-A1 A PROCESS FOR PREPARING TRANS-2,4-DISUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2001-06-28 WO 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-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines CYP4B1, CYP1A1, CYP3A4 HTR2C 178/4885DRD2 266/4885ADRA1A 124/4885

“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.