SCHEMBL4147795

SCHEMBL4147795

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
GRM5 P41594 2/20 0.34
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB6 P18564 1/20 0.33
EGFR P00533 7/20 0.33
KDR P35968 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ERBB2 P04626 2/20 0.33
ERBB4 Q15303 2/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PYGL P06737 1/20 0.32
SOS1 Q07889 1/20 0.32
MAPT P10636 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
SCHEMBL4147790 1.00 HSD11B1 (0.34) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL13772340 1.00 HSD11B1 (0.34) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL8322556 0.95 HSD11B1 (0.37) HSD11B1GRM5EGFRALDH1A1KDM4E
SCHEMBL4158300 0.95 HSD11B1 (0.37) HSD11B1GRM5EGFRALDH1A1KDM4E
SCHEMBL4158297 0.95 HSD11B1 (0.37) HSD11B1GRM5EGFRALDH1A1KDM4E
SCHEMBL4153639 0.94 ALDH1A1 (0.35) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL13772342 0.94 ALDH1A1 (0.35) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL4153641 0.94 ALDH1A1 (0.35) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL4149700 0.92 HSD11B1 (0.34) HSD11B1GRM5ITGAVITGA5ITGB6
SCHEMBL4149705 0.92 HSD11B1 (0.34) HSD11B1GRM5ITGAVITGA5ITGB6

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 2666/4885ITGAV 1650/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HSD11B1 751/4885GRM5 2849/4885ITGAV 1286/4885

“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.