SCHEMBL27191663

SCHEMBL27191663

O=C(O)[C@@H]1CCCN1CCc1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.78
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR2A P28223 2/20 0.55
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
MC4R P32245 2/20 0.53
MC1R Q01726 2/20 0.53
MC3R P41968 1/20 0.53
HTR1A P08908 2/20 0.52
RAB9A P51151 1/20 0.51
MTNR1A P48039 2/20 0.50
HTR6 P50406 2/20 0.50

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
SCHEMBL27206530 1.00 CYP2C19 (0.78) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27191675 1.00 CYP2C19 (0.78) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27191698 0.89 CYP2C19 (0.63) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30749806 0.87 CYP2C19 (0.60) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30749808 0.87 CYP2C19 (0.60) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30882158 0.86 MAPK1 (0.60) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30882156 0.86 MAPK1 (0.60) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27191678 0.86 CYP2C19 (0.59) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30882160 0.85 CYP2C19 (0.57) CYP2C19ADRA2AADRA2BADRA2CADRA1D
SCHEMBL30882159 0.84 CYP2C19 (0.56) CYP2C19ADRA2AADRA2BADRA2CADRA1D

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-20240116896-A1 HETEROATOM SUBSTITUTED CYCLIC AND ALKYL AMINES AS ACTIVATORS OF SEROTONIN RECEPTORS ATAI THERAPEUTICS, INC. (US) 2024-04-11 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-20240116896-A1 HETEROATOM SUBSTITUTED CYCLIC AND ALKYL AMINES AS ACTIVATORS OF SEROTONIN RECEPTORS HTR3B, HTR1A, HTR2B CYP2C19 493/4885ADRA2A 41/4885ADRA2B 42/4885

“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.