SCHEMBL6326537

SCHEMBL6326537

C[C@@H]1CNCCN1c1nc(-c2cccc(F)c2F)c2ccc(F)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SPAST Q9UBP0 1/20 0.41
HTR2A P28223 2/20 0.38
ROCK2 O75116 2/20 0.37
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
LATS1 O95835 1/20 0.36
KCNH2 Q12809 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
PIM1 P11309 4/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34

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
SCHEMBL5786527 1.00 HTR2C (0.43) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL5804701 1.00 HTR2C (0.43) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL5805354 0.90 HTR2C (0.46) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL6329138 0.90 HTR2C (0.46) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL5785292 0.90 HTR2C (0.46) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL5787896 0.89 SPAST (0.47) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL6327493 0.89 SPAST (0.47) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL6328772 0.89 SPAST (0.47) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL6329189 0.88 HTR2C (0.42) HTR2CHTR2BCYP1A2CYP3A4SPAST
SCHEMBL5785386 0.88 HTR2C (0.42) HTR2CHTR2BCYP1A2CYP3A4SPAST

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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 HTR2C 36/4885HTR2B 51/4885CYP1A2 169/4885

“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.