SCHEMBL4401054

SCHEMBL4401054

C=C(CN1CCNCC1)CN(CCC)C(=O)NCc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 2/20 0.38
CHRM3 P20309 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.36
THRB P10828 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
Hydrochloric Acid SCHEMBL4399450 0.86 CASR (0.44) TP53KMT2A
SCHEMBL4400761 0.85 KMT2A (0.44) HTTALDH1A1CHRM3KMT2APOLB
SCHEMBL4391981 0.84 MAPT (0.45) HTTTP53ALDH1A1CHRM3KMT2A
SCHEMBL4393787 0.84 CASR (0.42) KMT2A
SCHEMBL13672947 0.83 ALDH1A1 (0.34) TP53ALDH1A1NPC1RAB9ACHRM3
SCHEMBL14472756 0.83 MLNR (0.35) TP53ALDH1A1NPC1RAB9ACHRM3
SCHEMBL4391651 0.81 EPHX2 (0.38) TP53ALDH1A1CHRM3KMT2A
SCHEMBL4391985 0.81 CXCR4 (0.37) SIGMAR1ALDH1A1CHRM3
SCHEMBL4396219 0.81 CHRM3 (0.49) CHRM3
SCHEMBL4391341 0.81 EPHX2 (0.37) TP53ALDH1A1CHRM3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 HTT 2354/4885SIGMAR1 12/4885GAA 3815/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 HTT 2202/4885SIGMAR1 18/4885GAA 4045/4885

“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.