SCHEMBL4155370

SCHEMBL4155370

CC(NC(=O)CC[C@@H](Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
EGFR P00533 5/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
APOBEC3A P31941 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8320286 1.00 PRCP (0.38) PRCPALDH1A1LMNAEGFRGAA
SCHEMBL4155372 1.00 PRCP (0.38) PRCPALDH1A1LMNAEGFRGAA
SCHEMBL2995799 0.92 ALDH1A1 (0.36) PRCPALDH1A1LMNAEGFROPRM1
SCHEMBL4148831 0.91 ALDH1A1 (0.35) PRCPALDH1A1LMNAEGFRCNR1
SCHEMBL2997119 0.91 ALDH1A1 (0.35) PRCPALDH1A1LMNAEGFRCNR1
SCHEMBL2995314 0.90 ALDH1A1 (0.36) PRCPALDH1A1LMNAEGFRCNR1
SCHEMBL2994427 0.90 ALDH1A1 (0.35) PRCPALDH1A1LMNAEGFROPRM1
SCHEMBL2996587 0.88 CNR1 (0.37) EGFRCNR1CNR2POLB
SCHEMBL3000004 0.88 CNR1 (0.37) EGFRCNR1CNR2POLB
SCHEMBL2997522 0.88 PDGFRB (0.39) ALDH1A1CNR1CNR2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 PRCP 1507/4885ALDH1A1 2355/4885LMNA 774/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PRCP 1958/4885ALDH1A1 3364/4885LMNA 323/4885

“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.