SCHEMBL2071645

SCHEMBL2071645

CCOc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL2071646 1.00 HSD11B1 (0.44) HSD11B1KMT2AMEN1ALDH1A1TP53
SCHEMBL2072609 0.92 ALDH1A1 (0.46) HSD11B1KMT2AALDH1A1TP53CYP1A2
SCHEMBL2072608 0.92 ALDH1A1 (0.46) HSD11B1KMT2AALDH1A1TP53CYP1A2
SCHEMBL2070964 0.85 POLB (0.46) HSD11B1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2070962 0.85 POLB (0.46) HSD11B1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2071202 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1POLBTSHRMAPT
SCHEMBL2071200 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1POLBTSHRMAPT
SCHEMBL2073320 0.83 PDE4B (0.48) HSD11B1KMT2AMEN1ALDH1A1POLB
SCHEMBL2073318 0.83 PDE4B (0.48) HSD11B1KMT2AMEN1ALDH1A1POLB
SCHEMBL2073534 0.82 ALDH1A1 (0.55) HSD11B1ALDH1A1TP53CYP1A2CYP3A4

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-7897773-B2 Urea derivatives of tropane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2011-03-01 US disclosed
EP-2046791-B1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2010-03-24 EP disclosed
US-20090170894-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2009-07-02 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 (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-20090170894-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885KMT2A 3626/4885MEN1 3804/4885

“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.