SCHEMBL5093243

SCHEMBL5093243

Nc1cc(C2(C(=O)N3CCCC3)CC2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.64
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7410812 0.80 HSD11B1 (0.52) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL5089055 0.79 HSD11B1 (0.58) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL348724 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL350439 0.73 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL351050 0.73 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL17804163 0.72 HSD11B1 (0.66) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3139523 0.72 HSD11B1 (0.71) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3129900 0.72 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL5643459 0.71 HSD11B1 (0.71) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL5094333 0.71 HSD11B1 (0.67) HSD11B1MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 HSD11B1 1366/4885MEN1 888/4885KMT2A 3156/4885

“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.