SCHEMBL2070964

SCHEMBL2070964

O=C(N1CCCc2ccccc21)N1C2C=C(c3ccc(F)nc3)CC1CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HSD11B1 P28845 8/20 0.45
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2070962 1.00 POLB (0.46) POLBHSD11B1AVPR2OXTRAVPR1A
SCHEMBL2071679 0.89 POLB (0.52) POLBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2071682 0.89 POLB (0.52) POLBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2072609 0.87 ALDH1A1 (0.46) POLBHSD11B1ALDH1A1TP53CYP1A2
SCHEMBL2072608 0.87 ALDH1A1 (0.46) POLBHSD11B1ALDH1A1TP53CYP1A2
SCHEMBL2071646 0.85 HSD11B1 (0.44) POLBHSD11B1AVPR2OXTRAVPR1A
SCHEMBL2071645 0.85 HSD11B1 (0.44) POLBHSD11B1AVPR2OXTRAVPR1A
SCHEMBL2070931 0.85 PDE4B (0.50) POLBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2070929 0.85 PDE4B (0.50) POLBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2072699 0.85 HSD11B1 (0.53) POLBHSD11B1AVPR2OXTRAVPR1A

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 4 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
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-23 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 (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-20090170894-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 POLB 463/4885HSD11B1 1/4885AVPR2 1291/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 POLB 463/4885HSD11B1 1/4885AVPR2 1291/4885

“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.