SCHEMBL3449794

SCHEMBL3449794

O=[C]N1CCNCC1C(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
SLC6A2 P23975 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.42
SLC6A4 P31645 1/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL3448664 0.83 TDP1 (0.43) KMT2AMEN1KDM4ESIGMAR1SLC6A4
SCHEMBL8499278 0.82 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7615979 0.81 HTR3E (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3449600 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EHPGDSLC6A2
SCHEMBL3447596 0.77 SLC6A4 (0.52) ALDH1A1SMN1; SMN2KMT2ARAB9ASLC6A4
SCHEMBL8984647 0.69 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL18426391 0.69 MTNR1A (0.62) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL18425450 0.69 MTNR1A (0.62) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3451086 0.69 SIGMAR1 (0.44) ALDH1A1KMT2ASIGMAR1
SCHEMBL4630218 0.69 GNAI3 (0.31) SIGMAR1

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
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 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 (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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 ALDH1A1 2741/4885MAPT 3591/4885SMN1; SMN2 260/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 ALDH1A1 2741/4885MAPT 3591/4885SMN1; SMN2 260/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 ALDH1A1 3712/4885MAPT 4264/4885SMN1; SMN2 2927/4885

“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.