SCHEMBL7105830

SCHEMBL7105830

C=CCN(CCCCCC)CC(O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
GGPS1 O95749 3/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL5204920 0.85 DNM1 (0.37) FAAHGGPS1PLA2G1BPLA2G2A
SCHEMBL3313375 0.85 DNM1 (0.37) FAAHGGPS1PLA2G1BPLA2G2A
SCHEMBL5207642 0.85 DNM1 (0.37) FAAHGGPS1PLA2G1BPLA2G2A
SCHEMBL5202044 0.84 KDM4E (0.34) FAAHGGPS1PLA2G1BPLA2G2A
SCHEMBL3320341 0.84 KDM4E (0.34) FAAHGGPS1PLA2G1BPLA2G2A
Bromide SCHEMBL28902643 0.81 DNM1 (0.36) TSHRFAAHZDHHC20ZDHHC2GGPS1
Bromide SCHEMBL28340270 0.81 DNM1 (0.36) TSHRFAAHZDHHC20ZDHHC2GGPS1
Bromide SCHEMBL28340266 0.81 DNM1 (0.36) TSHRFAAHZDHHC20ZDHHC2GGPS1
Bromide SCHEMBL28340456 0.81 DNM1 (0.36) TSHRFAAHZDHHC20ZDHHC2GGPS1
SCHEMBL7771321 0.79 TSHR (0.33) TSHRFAAHZDHHC20ZDHHC2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US disclosed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 US disclosed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 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 (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-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP TSHR 4014/4885FAAH 741/4885ZDHHC20 161/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP TSHR 4014/4885FAAH 741/4885ZDHHC20 161/4885

“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.