SCHEMBL3544007

SCHEMBL3544007

OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
CYP2D6 P10635 1/20 0.68
HRH1 P35367 1/20 0.68
SCN1A P35498 1/20 0.68
KMT2A Q03164 1/20 0.68
SCN2A Q99250 1/20 0.68
SCN3A Q9NY46 1/20 0.68
HTR2C P28335 5/20 0.58
NPY2R P49146 1/20 0.45
CYP19A1 P11511 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
DNMT1 P26358 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2306732 0.85 MEN1 (0.68) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL7442875 0.84 CYP2D6 (0.66) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL2309661 0.83 MEN1 (0.65) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL7324294 0.82 MEN1 (0.73) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL10459095 0.82 CYP2D6 (0.64) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL3823426 0.82 MEN1 (0.58) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL9786895 0.81 MEN1 (0.68) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL8472241 0.81 HRH1 (0.68) MEN1LMNACYP2D6HRH1SCN1A
Azacyclonol SCHEMBL241817 0.81 HRH1 (1.00) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL8791454 0.80 MEN1 (0.57) MEN1LMNACYP2D6HRH1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231551-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA 2020-07-23 US disclosed
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-0912090-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORP (US) 2000-05-17 EP disclosed
US-6017931-A Insecticidal compositions containing n-(substituted phenylmethyl)-4-[bis(substituted phenyl)methyl]piperidines FMC CORPORATION 2000-01-25 US disclosed
EP-0912090-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1999-05-06 EP disclosed
US-5795901-A Insecticidal N-(substituted arylmethyl)-4- bis(substituted aryl)hydroxymethyl!piperidinium salts FMC CORPORATION (US) 1998-08-18 US disclosed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO disclosed
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 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 (3 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-20200231551-A1 COMPOSITIONS AND USES THEREOF CYP11B2, NQO1, CYP11B1 MEN1 146/4885LMNA 1499/4885CYP2D6 188/4885
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR MEN1 2174/4885LMNA 2216/4885CYP2D6 541/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR MEN1 2020/4885LMNA 2194/4885CYP2D6 568/4885

“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.