SCHEMBL770431

SCHEMBL770431

O=C(NCCCCC(=O)N1CCCC2CCCC=C21)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.48
CCR2 P41597 1/20 0.45
CCR3 P51677 9/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL771894 0.93 LMNA (0.44) HTR3ACCR2CCR3LMNA
SCHEMBL771768 0.90 CCR3 (0.47) HTR3ACCR3KMT2ALMNA
SCHEMBL770222 0.83 MEN1 (0.46) CCR3KMT2ANPSR1
SCHEMBL771263 0.81 EPHX1 (0.39) KMT2AMAPK1
SCHEMBL771584 0.80 ALDH1A1 (0.47) KMT2ALMNAMAPT
SCHEMBL771349 0.80 CACNA1H (0.37) KCNH2MAPTSMN1; SMN2
SCHEMBL770654 0.80 EPHX1 (0.50) SMN1; SMN2
SCHEMBL770322 0.80 EPHX1 (0.50) SMN1; SMN2
SCHEMBL771634 0.79 KEAP1 (0.48) CCR3LMNA
SCHEMBL770945 0.79 NAAA (0.36) KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HTR3A 1502/4885CCR2 3149/4885CCR3 3880/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HTR3A 1501/4885CCR2 3168/4885CCR3 3869/4885

“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.