SCHEMBL24322719

SCHEMBL24322719

NCCN1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
SIGMAR1 Q99720 4/20 0.53
KCNH2 Q12809 4/20 0.51
GRM2 Q14416 1/20 0.51
HTR2A P28223 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP2A13 Q16696 1/20 0.45

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
SCHEMBL3322986 0.86 ALDH1A1 (0.66) TAAR1SIGMAR1ALDH1A1CYP2A13
SCHEMBL12073194 0.84 ALDH1A1 (0.68) TAAR1SIGMAR1KCNH2GRM2HTR2A
SCHEMBL3600033 0.82 CXCR4 (0.54) TAAR1KCNH2HTR2A
SCHEMBL3589864 0.81 MAOA (0.52) TAAR1SIGMAR1KCNH2GRM2HTR2A
SCHEMBL5781401 0.81 GRM2 (0.50) TAAR1SIGMAR1KCNH2GRM2HTR2A
SCHEMBL5752361 0.81 SIGMAR1 (0.51) TAAR1SIGMAR1KCNH2GRM2HTR2A
Methane SCHEMBL3600037 0.80 MAOA (0.51) TAAR1SIGMAR1KCNH2GRM2HTR2A
SCHEMBL1298794 0.80 SIGMAR1 (0.69) SIGMAR1ALDH1A1
SCHEMBL24324268 0.80 TAAR1 (0.62) TAAR1SIGMAR1KCNH2GRM2HTR2A
SCHEMBL5871946 0.79 GRM2 (0.46) TAAR1SIGMAR1KCNH2GRM2HTR2A

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN TAAR1 2436/4885SIGMAR1 3622/4885KCNH2 4773/4885

“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.