SCHEMBL4154584

SCHEMBL4154584

FC(F)(F)c1cccc(N2CC=CCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR1D P28221 1/20 0.59
HTR2C P28335 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
NPSR1 Q6W5P4 3/20 0.53
NOTUM Q6P988 1/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4076837 0.87 ALDH1A1 (0.59) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL4069047 0.83 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.82 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL31506498 0.81 CA12 (0.45) ALDH1A1NOTUMTSHRCYP3A4TDP1
SCHEMBL4064779 0.81 ALDH1A1 (0.56) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.79 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL11874981 0.78 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6257153 0.77 ALDH1A1 (0.70) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL10515108 0.76 MAPT (0.71) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL220303 0.75 ALDH1A1 (0.66) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 US disclosed
EP-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO disclosed
WO-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 WO disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed
US-4691019-A Anorectic agent; 4-(3-trifluoromethylphenyl)-1-(2-cyanoethyl)-1,2,3,6-tetrahydropyridine SANOFI (FR) 1987-09-01 US disclosed
US-4602024-A Substituted trifluoromethylphenyltetrahydropyridines having a cyano substituent and an anorectic activity, a process for preparing same and pharmaceutical compositions SANOFI (FR) 1986-07-22 US disclosed
EP-0060176-B1 SUBSTITUTED TRIFLUOROMETHYLPHENYLTETRAHYDROPYRIDINES HAVING ANORECTIC ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1985-01-02 EP disclosed
US-4472408-A Substituted trifluoromethylphenyltetrahydropyridines having an anorectic activity SANOFI (FR) 1984-09-18 US disclosed
EP-0060179-A1 Pharmaceutical compositions having anorectic activity SANOFI S.A. (FR) 1982-09-15 EP disclosed
EP-0060176-A1 Substituted trifluoromethylphenyltetrahydropyridines having anorectic activity, their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1982-09-15 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 (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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO ALDH1A1 334/4885SIGMAR1 1023/4885HTR3E 3220/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO ALDH1A1 334/4885SIGMAR1 1023/4885HTR3E 3220/4885
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 ALDH1A1 1697/4885SIGMAR1 650/4885HTR3E 359/4885

“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.