SCHEMBL4984697

SCHEMBL4984697

C=CCOc1cccc(C2CCCC[N]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTNR1A P48039 1/20 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
SCHEMBL4981779 0.83 MAPT (0.45) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL31267631 0.77 HTR2C (0.42) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL3035320 0.77 HTR2C (0.49) NPC1MEN1KMT2AKDM4EGAA
SCHEMBL3158649 0.73 HTR2C (0.50) NPC1MEN1KMT2AKDM4EGAA
SCHEMBL1520719 0.71 MEN1 (0.50) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL3159426 0.69 TAAR1 (0.46) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6558765 0.69 HTR2C (0.45) NPSR1MAPTNPC1RAB9AMEN1
SCHEMBL1276149 0.69 CA12 (0.39) ADRA2AADRA2BADRA2CNPSR1MAPT
SCHEMBL186274 0.68 NOS1 (0.52) ADRA2AMEN1LMNAKMT2AGAA
SCHEMBL8542775 0.66 NOS1 (0.50) ADRA2AMEN1LMNAKMT2AGAA

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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ADRA2A 69/4885ADRA2B 41/4885ADRA2C 25/4885

“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.