SCHEMBL3961892

SCHEMBL3961892

Fc1cccc(-c2ccc(N3CC=CCC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
ESR2 Q92731 1/20 0.46
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
CYP3A4 P08684 4/20 0.41
USP2 O75604 3/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL3899588 0.81 USP2 (0.42) CYP3A4USP2CYP2D6TSHRMAPK1
SCHEMBL4565389 0.79 MAPK1 (0.48) USP2TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3892800 0.79 NPC1 (0.50) TAAR1ESR2HTR1AHTR7CYP3A4
Hydrochloric Acid SCHEMBL6368616 0.78 MAPK1 (0.47) USP2TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3038518 0.74 ESR2 (0.49) TAAR1ESR2HTR1AHTR7CYP3A4
SCHEMBL24045892 0.74 TAAR1 (0.45) TAAR1ESR2HTR1AHTR7CYP3A4
SCHEMBL3961891 0.73 DHODH (0.42) HTR1AHTR7ALDH1A1HIF1ADHODH
SCHEMBL4791897 0.72 BPTF (0.49) HTR1AHTR7SMN1; SMN2ALDH1A1HTR2A
SCHEMBL8577719 0.71 MAOA (0.51) HTR1AMAPK1ALDH1A1HTR2ADRD2
Hydrochloric Acid SCHEMBL31053184 0.71 MAOB (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 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 (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-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R TAAR1 531/4885ESR2 391/4885HTR1A 94/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R TAAR1 531/4885ESR2 391/4885HTR1A 94/4885

“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.