SCHEMBL4143885

SCHEMBL4143885

C[C@H](Nc1ncnc2cc(C(=O)N3CCCC[C@H]3CN)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
GRM5 P41594 1/20 0.36
PRCP P42785 3/20 0.35
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CNR1 P21554 3/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
ERBB2 P04626 1/20 0.32

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
SCHEMBL4143884 1.00 HSD11B1 (0.37) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL8321495 1.00 HSD11B1 (0.37) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL3004192 0.98 SOS1 (0.37) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL4156704 0.98 SOS1 (0.37) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL3000818 0.98 SOS1 (0.37) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL4142158 0.95 EGFR (0.36) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL8323726 0.95 EGFR (0.36) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL4142155 0.95 EGFR (0.36) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL8317650 0.94 HSD11B1 (0.43) HSD11B1GRM5PRCPSOS1ALDH1A1
SCHEMBL4144399 0.94 HSD11B1 (0.43) HSD11B1GRM5PRCPSOS1ALDH1A1

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 2666/4885PRCP 1507/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HSD11B1 751/4885GRM5 2849/4885PRCP 1958/4885

“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.