SCHEMBL24322840

SCHEMBL24322840

NCCN1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
KCNJ1 P48048 2/20 0.59
MAOA P21397 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 1/20 0.51
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MAOB P27338 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL4419829 0.85 MAPT (0.54) SIGMAR1
SCHEMBL5745400 0.83 KCNJ1 (0.61) KCNH2KCNJ1MAOASIGMAR1HTR2A
SCHEMBL23377646 0.82 HRH3 (0.68) KCNH2KCNJ1MAOASIGMAR1HTR2A
SCHEMBL23377845 0.82 HRH3 (0.62) KCNH2KCNJ1MAOASIGMAR1HTR2A
SCHEMBL9629316 0.81 HRH3 (0.71) KCNH2KCNJ1MAOASIGMAR1HTR2A
SCHEMBL1307577 0.81 SIGMAR1 (0.79) SIGMAR1SLC6A3
SCHEMBL24322699 0.80 SLC6A3 (0.73) TAAR1SIGMAR1HTR2ASLC6A4SLC6A3
SCHEMBL3600688 0.80 HTR2A (0.57) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL8804098 0.79 MAOA (0.67) KCNH2KCNJ1MAOASIGMAR1HTR2A
SCHEMBL3599810 0.79 SPHK1 (0.63) KCNH2KCNJ1MAOAHTR2AHTR2C

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 KCNH2 4773/4885KCNJ1 4699/4885MAOA 1108/4885

“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.