SCHEMBL4158300

SCHEMBL4158300

CCN(CC)C[C@@H]1CCCCN1C(=O)c1cc2ncnc(N[C@@H](C)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
GRM5 P41594 4/20 0.36
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
EGFR P00533 3/20 0.33
PRCP P42785 2/20 0.33
HRH4 Q9H3N8 1/20 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
SCHEMBL4158297 1.00 HSD11B1 (0.37) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL8322556 1.00 HSD11B1 (0.37) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL4147790 0.95 HSD11B1 (0.34) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL4147795 0.95 HSD11B1 (0.34) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL13772340 0.95 HSD11B1 (0.34) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL8325651 0.95 ALDH1A1 (0.37) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL4153331 0.95 ALDH1A1 (0.37) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL4157517 0.94 HSD11B1 (0.35) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL4157521 0.94 HSD11B1 (0.35) HSD11B1GRM5SOS1ALDH1A1KDM4E
SCHEMBL8320746 0.94 HSD11B1 (0.35) HSD11B1GRM5SOS1ALDH1A1KDM4E

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 HSD11B1 509/4885GRM5 2666/4885SOS1 773/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HSD11B1 751/4885GRM5 2849/4885SOS1 1153/4885

“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.