SCHEMBL5408679

SCHEMBL5408679

CCCCCCC(N)CC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.48
PLA2G2A P14555 1/20 0.48
OPRM1 P35372 1/20 0.44
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
TSHR P16473 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL16496492 1.00 PLA2G1B (0.48) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL9514012 1.00 PLA2G1B (0.48) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL27611846 1.00 PLA2G1B (0.48) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL12644331 1.00 PLA2G1B (0.48) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL27285574 0.98 PLA2G1B (0.47) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL11056963 0.91
SCHEMBL16496493 0.81
SCHEMBL22986850 0.81 FAAH (0.41) SPHK1CYP2D6LMNAGMNNPOLB
Water SCHEMBL28436436 0.81 PLA2G1B (0.60) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
Propionitrile SCHEMBL28967556 0.81 PLA2G1B (0.47) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1

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-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
WO-2006002067-A1 COMPOSITION AND METHOD USING LOCAL APPLICATION OF LIPOPHILIC LATHYROGENS IN SUSTAINED RELEASE FORMULATIONS CHVAPIL MILOS (US) 2006-01-05 WO disclosed
US-20050276855-A1 Composition and method using local application of lipophilic lathyrogens sustained release formulations CHVAPIL MILOS 2005-12-15 US disclosed
WO-2005034882-A2 COMPOSITION AND METHOD TO TREAT SOLID TUMORS CHVAPIL MILOS (US) 2005-04-21 WO disclosed
US-20050080132-A1 Composition and method to treat solid tumors CHVAPIL MILOS (US) 2005-04-14 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-20050080132-A1 Composition and method to treat solid tumors CYP17A1, CYP19A1, LPXN PLA2G1B 1566/4885PLA2G2A 2283/4885OPRM1 1528/4885
US-20050276855-A1 Composition and method using local application of lipophilic lathyrogens sustained release formulations SHBG, PLOD3, LPXN PLA2G1B 2895/4885PLA2G2A 2102/4885OPRM1 520/4885

“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.