SCHEMBL3857708

SCHEMBL3857708

CSc1cc(-c2ccc(F)cc2)nn1C(=O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
DRD4 P21917 1/20 0.43
SCN9A Q15858 1/20 0.43
ALOX15 P16050 1/20 0.43
REV1 Q9UBZ9 2/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL2873762 0.81 CCR1 (0.52) MAPTALDH1A1MAPK1RAB9ATDP1
SCHEMBL27764771 0.74 MAPT (0.39) MAPTMAPK1SMN1; SMN2LMNATSHR
SCHEMBL6169409 0.71 HRH3 (0.41) MAPTALDH1A1MAPK1RAB9AHTT
SCHEMBL8576314 0.69 REV1 (0.59) MAPTALDH1A1MAPK1RAB9ATDP1
SCHEMBL8002247 0.69 REV1 (0.62) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL13024614 0.68 CCR1 (0.52) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL5114345 0.68 REV1 (0.65) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3396020 0.67 REV1 (0.59) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL4179918 0.67 GAA (0.60) MAPTALDH1A1MAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1373922 0.67 REV1 (0.63) MAPTALDH1A1MAPK1TDP1HTT

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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885MAPK1 1051/4885

“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.