SCHEMBL7936552

SCHEMBL7936552

CCCCNc1ccc(CCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SPHK1 Q9NYA1 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PLK1 P53350 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13093947 0.92 SPHK1 (0.54) HPGDALDH1A1GAAMAPTHTT
SCHEMBL28681651 0.92 SPHK1 (0.54) HPGDALDH1A1GAAMAPTHTT
SCHEMBL21523329 0.92 SPHK1 (0.54) HPGDALDH1A1GAAMAPTHTT
SCHEMBL11934719 0.89 HTR2A (0.52) HPGDALDH1A1GAAMAPTHTT
SCHEMBL17040408 0.89 RARB (0.51) ALDH1A1MAPTKMT2ALMNASPHK1
SCHEMBL22346236 0.88 SPHK1 (0.58) ALDH1A1LMNASPHK1HSD17B10
SCHEMBL21523345 0.88 SPHK1 (0.58) ALDH1A1LMNASPHK1HSD17B10
SCHEMBL28944302 0.88 SPHK1 (0.58) ALDH1A1LMNASPHK1HSD17B10
SCHEMBL28413635 0.88 SPHK1 (0.58) ALDH1A1LMNASPHK1HSD17B10
SCHEMBL8656993 0.88 SPHK1 (0.58) ALDH1A1LMNASPHK1HSD17B10

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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-6235938-B1 ARYLATION IN THE PRESENCE OF A BASE AND TRANSITION METAL CATALYSTS TO FORM N-ARYLAMINE AND GROUP 8 METAL YALE UNIVERSITY 2001-05-22 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HPGD 3214/4885ALDH1A1 3735/4885GAA 2722/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HPGD 2459/4885ALDH1A1 4013/4885GAA 4105/4885

“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.