SCHEMBL4499317

SCHEMBL4499317

CC(=O)CCNCC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 2/20 0.51
PRMT1 Q99873 1/20 0.48
MAOB P27338 2/20 0.47
PAM P19021 1/20 0.47
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PLIN1 O60240 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
F3 P13726 1/20 0.43
RECQL P46063 1/20 0.43
PLIN5 Q00G26 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43

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
SCHEMBL7427930 0.87 S1PR1 (0.64) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL7433097 0.87 S1PR1 (0.64) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL11597360 0.80 PRMT1 (0.55) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL11597357 0.80 PRMT1 (0.55) S1PR1S1PR3PRMT1MAOBPAM
Acetic Acid SCHEMBL28444975 0.79 EGFR (0.58) S1PR1S1PR3PRMT1TDP1ALDH1A1
SCHEMBL3108113 0.78 PAM (0.55) MAOBPAMGLATDP1ALDH1A1
SCHEMBL6898155 0.78 PRMT1 (0.50) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL3299029 0.78 RAB9A (0.50) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL6898148 0.78 PRMT1 (0.50) S1PR1S1PR3PRMT1MAOBPAM
SCHEMBL3299030 0.78 RAB9A (0.50) S1PR1S1PR3PRMT1MAOBPAM

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-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 EP 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E S1PR1 1312/4885S1PR3 1226/4885PRMT1 3534/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E S1PR1 1297/4885S1PR3 1619/4885PRMT1 2882/4885

“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.