SCHEMBL9526894

SCHEMBL9526894

CN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
CYP3A4 P08684 4/20 0.65
HTR1A P08908 3/20 0.65
TP53 P04637 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
GRK2 P25098 2/20 0.65
SLC6A4 P31645 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP2C9 P11712 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NPC1 O15118 1/20 0.65
CACNA1F O60840 1/20 0.65
MPO P05164 1/20 0.65
ADRB2 P07550 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM4 P08173 1/20 0.65
ABCB1 P08183 1/20 0.65
CHRM5 P08912 1/20 0.65
ADORA3 P0DMS8 1/20 0.65

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
SCHEMBL30589885 1.00 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL19236199 1.00 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL7957720 1.00 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL3073046 0.92 L3MBTL1 (0.61) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL12538358 0.92 L3MBTL1 (0.61) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL8601438 0.91 L3MBTL1 (0.58) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL8601442 0.91 L3MBTL1 (0.58) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL7966834 0.90 L3MBTL1 (0.58) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL5083142 0.88 L3MBTL1 (0.66) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL5083143 0.88 L3MBTL1 (0.66) L3MBTL1CYP3A4HTR1ATP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
EP-0223403-B1 PIPERIDINE DERIVATIVE, ITS PREPARATION, AND ITS USE AS MEDICAMENT BEECHAM GROUP PLC (GB) 1993-08-04 EP disclosed
US-4721723-A TRANS-4-(4'FLUOROPHENYL)3-(3',4' METHYLENEDIOXY PHENOXY METHYL PIPERIDINE BEECHAM GROUP P.L.C. (GB) 1988-01-26 US disclosed
EP-0223403-A2 Piperidine derivative, its preparation, and its use as medicament BEECHAM GROUP PLC (GB) 1987-05-27 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-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES SLC6A4, HTR4, HTR5A L3MBTL1 2807/4885CYP3A4 255/4885HTR1A 9/4885

“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.