SCHEMBL8317650

SCHEMBL8317650

CCC1CCCCN1C(=O)c1cc2ncnc(NC(C)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
GRM5 P41594 4/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
REN P00797 1/20 0.35
SOS1 Q07889 1/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PRCP P42785 1/20 0.34
CNR1 P21554 2/20 0.34
HCRTR2 O43614 2/20 0.33

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
SCHEMBL4144397 1.00 HSD11B1 (0.43) HSD11B1GRM5ALDH1A1HPGDKMT2A
SCHEMBL4144399 1.00 HSD11B1 (0.43) HSD11B1GRM5ALDH1A1HPGDKMT2A
SCHEMBL4143884 0.94 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNARAB9A
SCHEMBL4143885 0.94 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNARAB9A
SCHEMBL8321495 0.94 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNARAB9A
SCHEMBL4158300 0.93 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNAKDM4E
SCHEMBL4158297 0.93 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNAKDM4E
SCHEMBL8322556 0.93 HSD11B1 (0.37) HSD11B1GRM5ALDH1A1LMNAKDM4E
SCHEMBL4142158 0.92 EGFR (0.36) HSD11B1GRM5ALDH1A1HPGDLMNA
SCHEMBL4162552 0.92 HRH3 (0.41) HSD11B1GRM5NPC1HRH4TDP1

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-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-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-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
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO 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 (1 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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HSD11B1 751/4885GRM5 2849/4885ALDH1A1 3364/4885

“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.