SCHEMBL4723409

SCHEMBL4723409

CCCN(CCC)c1[c]nccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 3/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNE1 P15382 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCAR3 P49019 1/20 0.31
DYRK1A Q13627 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNN4 O15554 1/20 0.30
SLC6A2 P23975 1/20 0.30
AGTR2 P50052 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4720063 0.93 UTS2R (0.35) AGTR1MEN1NPC1RAB9AKMT2A
SCHEMBL4722714 0.92 KCNA5 (0.33) AGTR1MEN1NPC1RAB9AKMT2A
SCHEMBL4724165 0.89 UTS2R (0.37) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL2067322 0.86 TAAR1 (0.34) MAPTL3MBTL1
SCHEMBL4722599 0.82 CSNK1D (0.33) KCNA5KCNH2SMN1; SMN2CYP2D6KCNE1
SCHEMBL4722931 0.82 MAPT (0.38) MAPTL3MBTL1LMNA
SCHEMBL20184783 0.76 TP53 (0.34) HCAR3DRD2DRD3
SCHEMBL2068626 0.76 CHRNB2 (0.35)
SCHEMBL4722782 0.76 KDM4E (0.38) MAPTL3MBTL1SLC6A2
SCHEMBL4724413 0.74 MAPT (0.32) AGTR1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 AGTR1 507/4885MEN1 4451/4885NPC1 3867/4885
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF AGTR1 895/4885MEN1 2910/4885NPC1 810/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF AGTR1 895/4885MEN1 2910/4885NPC1 810/4885

“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.