Trifluperidol

Trifluperidol

SCHEMBL4122414

CCCCCCCCCC(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2DRD3DRD4HTR2A

The experimentally established mechanism targets of Trifluperidol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 15/20 0.64
DRD4 known ✓ P21917 3/20 0.64
DRD3 known ✓ P35462 3/20 0.64
HTR2A known ✓ P28223 2/20 0.64
ABCB11 O95342 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
TSHR P16473 2/20 0.73
THPO P40225 2/20 0.73
MTOR P42345 2/20 0.73
EBP Q15125 2/20 0.73
SIGMAR1 Q99720 2/20 0.73
TP53 P04637 1/20 0.73
PKM P14618 1/20 0.73
MAPK1 P28482 1/20 0.73
PMP22 Q01453 2/20 0.72
KDM4E B2RXH2 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ADRA1A P35348 3/20 0.64
HTR1A P08908 2/20 0.64

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
Trifluperidol SCHEMBL28086762 0.91 ABCB11 (0.88) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL4177109 0.90 DRD2 (0.80) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL41057 0.90 DRD2 (0.80) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL19463557 0.90 DRD2 (0.80) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL28595609 0.89 DRD2 (0.78) ABCB11CYP3A4CYP2D6TSHRTHPO
Trifluperidol SCHEMBL29710906 0.85 CYP3A4 (1.00) ABCB11CYP3A4CYP2D6TSHRTHPO
Trifluperidol SCHEMBL120862 0.85 CYP3A4 (1.00) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL10392879 0.85 DRD2 (0.72) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL5452448 0.85 DRD2 (0.72) ABCB11CYP3A4CYP2D6TSHRTHPO
Haloperidol SCHEMBL10392880 0.85 DRD2 (0.72) ABCB11CYP3A4CYP2D6TSHRTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106064-A1 Butyrophenones and sigma-1 receptor antagonists protect against oxidative-stress UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-18 US claimed
WO-2006050511-A2 BUTYROPHENOMENES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVES-STRESS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-11 WO claimed
US-20090156637-A1 BUTYROPHENONES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVE-STRESS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER OF FORT WORTH (US) 2009-06-18 US disclosed
US-20060106064-A1 Butyrophenones and sigma-1 receptor antagonists protect against oxidative-stress UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-18 US disclosed
WO-2006050511-A2 BUTYROPHENOMENES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVES-STRESS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-11 WO 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-20090156637-A1 BUTYROPHENONES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVE-STRESS SIGMAR1, OPRK1, OPRL1 DRD2 141/4885DRD4 213/4885DRD3 120/4885
US-20060106064-A1 Butyrophenones and sigma-1 receptor antagonists protect against oxidative-stress SIGMAR1, OPRK1, OPRL1 DRD2 141/4885DRD4 213/4885DRD3 120/4885

“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.