SCHEMBL4391778

SCHEMBL4391778

C=C(CN1CCN(C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.51
CCR5 P51681 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 SCHEMBL4402008 0.99 CASR (0.51) CASRCCR5LMNAGAASMN1; SMN2
SCHEMBL4391788 0.90 CASR (0.58) CASRCCR5
SCHEMBL4391784 0.90 CASR (0.51) CASRCCR5
Hydrochloric Acid SCHEMBL4397074 0.89 CASR (0.51) CASRCCR5
SCHEMBL4391532 0.87 CASR (0.49) CASRCCR5
SCHEMBL4393202 0.86 CASR (0.47) CASRCCR5LMNA
SCHEMBL7092061 0.83 CCR5 (0.47) CASRCCR5
SCHEMBL5558790 0.83 CASR (0.76) CASRSMN1; SMN2
Hydrochloric Acid SCHEMBL4400448 0.83 CASR (0.75) CASRSMN1; SMN2
SCHEMBL6989540 0.82 CASR (0.49) CASRGAA

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 CASR 2192/4885CCR5 433/4885LMNA 4639/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885CCR5 858/4885LMNA 4277/4885

“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.