SCHEMBL3447883

SCHEMBL3447883

Cc1ccc(C(=O)C2CNCCN2[C]=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 3/20 0.39
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
HSD11B1 P28845 1/20 0.36
MGLL Q99685 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL3451086 0.86 SIGMAR1 (0.44) KMT2AALDH1A1TSHROPRD1
SCHEMBL8498209 0.78 KMT2A (0.46) KMT2AMEN1CYP2D6ALDH1A1GABRD
SCHEMBL3449047 0.77 ADRB1 (0.39)
SCHEMBL3449345 0.74 CHRNB2 (0.32)
SCHEMBL4552600 0.73 SIGMAR1 (0.43) KMT2AMEN1ALDH1A1HSD11B1MGLL
SCHEMBL4563423 0.70 SIGMAR1 (0.40) KMT2AALDH1A1LMNATSHR
SCHEMBL3448897 0.70 CHRNB2 (0.33)
SCHEMBL8718223 0.70 MAPT (0.36) KMT2AALDH1A1PKMLMNA
SCHEMBL4629956 0.70 MAPT (0.36) KMT2AALDH1A1PKMLMNA
SCHEMBL3449404 0.69 HRH4 (0.53) ALDH1A1

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 KMT2A 2035/4885MEN1 591/4885CYP2D6 3744/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 KMT2A 2035/4885MEN1 591/4885CYP2D6 3744/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 KMT2A 2013/4885MEN1 3128/4885CYP2D6 695/4885

“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.