SCHEMBL7247476

SCHEMBL7247476

C[C@H](N)Cc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CYSLTR1 Q9Y271 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
NCF1 P14598 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PDE10A Q9Y233 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43

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
SCHEMBL14478292 1.00 CYP1A2 (0.54) CYP1A2HTR2AHTR2CHTR2BCYSLTR1
SCHEMBL14478261 1.00 CYP1A2 (0.54) CYP1A2HTR2AHTR2CHTR2BCYSLTR1
SCHEMBL29399169 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2NCF1PDE10A
SCHEMBL5690187 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2NCF1PDE10A
SCHEMBL117318 0.85 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2NCF1PDE10A
Hydrochloric Acid SCHEMBL28287683 0.83 CYP1A2 (0.56) CYP1A2CYSLTR1CYSLTR2NCF1PDE10A
SCHEMBL8617798 0.81 CYP1A2 (0.58) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL4841335 0.81 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2NCF1PDE10A
SCHEMBL2183632 0.80 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL20676734 0.80 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1

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-3707153-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2020-09-16 EP disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 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-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 CYP1A2 716/4885HTR2A 464/4885HTR2C 201/4885

“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.