SCHEMBL3071498

SCHEMBL3071498

FC(F)(F)n1ncc2c1CCNC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.33
CD44 P16070 1/20 0.33
MAOB P27338 1/20 0.33
HTR6 P50406 2/20 0.32
S1PR1 P21453 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30901811 0.86 PNMT (0.33) PNMTCD44MAOBASIC3
SCHEMBL12490048 0.83 PNMT (0.35) PNMTCD44MAOBHTR6S1PR1
SCHEMBL16220603 0.74 PNMT (0.38) PNMTCD44MAOBHTR6S1PR1
SCHEMBL23641905 0.73 HSD11B1 (0.31) PNMTHTR2AHTR2C
SCHEMBL15088358 0.73 BPTF (0.39) PNMTCD44MAOBHTR6S1PR1
SCHEMBL25520564 0.72 S1PR1 (0.34) PNMTCD44MAOBHTR6S1PR1
Hydrochloric Acid SCHEMBL3030341 0.71 BPTF (0.39) PNMTCD44MAOBHTR6S1PR1
Hydrochloric Acid SCHEMBL29759718 0.71 BPTF (0.39) PNMTCD44MAOBHTR6S1PR1
Trifluoroacetic Acid SCHEMBL29548579 0.71 BPTF (0.35) PNMTHTR6HTR2AHTR2C
SCHEMBL21941336 0.70 HTR6 (0.31) HTR6S1PR1HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 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 (2 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-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S PNMT 1329/4885CD44 4858/4885MAOB 219/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S PNMT 1329/4885CD44 4858/4885MAOB 219/4885

“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.