SCHEMBL3965971

SCHEMBL3965971

CCCCCCCCC(O)C(C#N)CCCCCCCC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
GPR84 Q9NQS5 3/20 0.40
SPHK1 Q9NYA1 2/20 0.40
FFAR1 O14842 2/20 0.40
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 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
SCHEMBL4920628 0.85 SPHK1 (0.48) GPR84SPHK1FFAR1CYP2D6MAPT
SCHEMBL25196780 0.83 TSHR (0.67) TSHRFAAHTRPV1GPR84SPHK1
SCHEMBL15505936 0.83 TSHR (0.67) TSHRFAAHTRPV1GPR84SPHK1
SCHEMBL28395145 0.81 GPR84 (0.44) GPR84SPHK1FFAR1CYP2D6MAPT
SCHEMBL28398577 0.81 GPR84 (0.44) GPR84SPHK1FFAR1CYP2D6MAPT
SCHEMBL29482095 0.78 TSHR (0.58) TSHRFAAHTRPV1MAPTTRPA1
SCHEMBL11028135 0.77 GPR84 (0.42) GPR84SPHK1FFAR1CYP2D6MAPT
Tetradecanal SCHEMBL6149958 0.77 TSHR (0.57) TSHRFAAHTRPV1SPHK1CYP2D6
SCHEMBL16706242 0.76 TSHR (0.67) TSHRFAAHTRPV1GPR84FFAR1
SCHEMBL27204 0.76 TSHR (0.67) TSHRFAAHTRPV1GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-29 US disclosed
US-7560570-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-27 US disclosed
US-6891043-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-05-10 US disclosed
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE 2003-05-15 US disclosed
US-6462054-B1 ALPHA KETO HETEROCYCLIC PHARMACOPHORE; COMPLEMENTARY BINDING BY ELECTROPHILIC CARBONYL AND WEAKLY BASIC NITROGEN OF SUCH AS OXAZOLOPYRIDINE GROUP; SLEEP AIDS OR ANALGESICS; PRESERVING ENDOGENOUS LEVELS OF OLEAMIDE AND ANANDAMIDE THE SCRIPPS RESEARCH INSTITUTE 2002-10-08 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-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 TSHR 1415/4885FAAH 1/4885TRPV1 703/4885
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 TSHR 1573/4885FAAH 1/4885TRPV1 536/4885
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 TSHR 1415/4885FAAH 1/4885TRPV1 703/4885

“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.