SCHEMBL4399090

SCHEMBL4399090

C=C(CN1CCNCC1)CN(CCN(CC)c1cccc(C)c1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
CASR P41180 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GUSB P08236 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
CHRM3 P20309 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4401977 0.93 MAPT (0.41) DRD4SMN1; SMN2ALDH1A1GUSBTSHR
SCHEMBL4397560 0.90 CASR (0.49) CASRSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL4393209 0.81 SMN1; SMN2 (0.46) CASRSMN1; SMN2ALDH1A1TSHRCHRM3
SCHEMBL4396970 0.80 KMT2A (0.48) CASRSMN1; SMN2CHRM3
SCHEMBL4393805 0.80 CASR (0.62) CASR
SCHEMBL4397690 0.80 CHRM3 (0.39) SMN1; SMN2ALDH1A1GUSBTSHRKDM4E
Hydrochloric Acid SCHEMBL4400765 0.79 CASR (0.61) CASR
SCHEMBL4391981 0.79 MAPT (0.45) SMN1; SMN2ALDH1A1GUSBTSHRKDM4E
SCHEMBL4391777 0.78 CASR (0.53) CASRSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL14472841 0.78 CASR (0.43) CASRSMN1; SMN2ALDH1A1TSHRMAPT

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 DRD4 614/4885CASR 2192/4885SMN1; SMN2 1662/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 DRD4 397/4885CASR 2483/4885SMN1; SMN2 2522/4885

“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.