SCHEMBL5283745

SCHEMBL5283745

CNCCc1cc(F)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.55
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
METAP2 P50579 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL5281680 0.86 TAAR1 (0.64) TAAR1ATMMAPTCYP1A2TP53
SCHEMBL5282624 0.86 TAAR1 (0.64) TAAR1NOS1NOS3ATMMAPT
SCHEMBL4826459 0.80 METAP2 (0.43) TAAR1NOS1NOS3MAPTRAPGEF4
SCHEMBL13349208 0.78 DAO (0.39) TP53HSD17B10RAPGEF4METAP2KDM4E
SCHEMBL31579869 0.78 KDM4E (0.47) MAPTHIF1AHSD17B10METAP2KDM4E
SCHEMBL15211305 0.77 TAAR1 (0.50) TAAR1NOS1NOS3ATMMAPT
SCHEMBL18556911 0.74 NPC1 (0.42) MAPK1RAPGEF4HPGDNPSR1CYP3A4
SCHEMBL13590877 0.74 TAAR1 (0.51) TAAR1NOS1NOS3ATMMAPT
SCHEMBL3237616 0.74 TAAR1 (0.50) TAAR1
SCHEMBL16404716 0.74 DAO (0.36) CYP1A2RAPGEF4METAP2NOS2CYP3A4

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
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
WO-2006103342-A2 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2006-10-05 WO 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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 TAAR1 244/4885NOS1 1530/4885NOS3 845/4885

“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.