SCHEMBL2207440

SCHEMBL2207440

COc1cc(CNC(=O)C2=NO[C@]3(CC[C@@H](C(C)(C)C)CC3)C2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
SHBG P04278 2/20 0.43
TRPV6 Q9H1D0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL2209768 1.00 TRPV1 (0.46) TRPV1SHBGTRPV6ALDH1A1CYP1A2
SCHEMBL2207438 1.00 TRPV1 (0.46) TRPV1SHBGTRPV6ALDH1A1CYP1A2
SCHEMBL5126227 0.86 TRPV1 (0.43) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5125639 0.84 GPR119 (0.51) TRPV1CYP2C19
SCHEMBL1457204 0.84 TRPV1 (0.40) TRPV1SHBGALDH1A1CYP1A2CYP3A4
SCHEMBL2205850 0.83 EPHX2 (0.44)
SCHEMBL2210571 0.80 ALDH1A1 (0.42) ALDH1A1CYP2C19
SCHEMBL2207313 0.80 ALDH1A1 (0.42) ALDH1A1CYP2C19
SCHEMBL2207565 0.79 MEN1 (0.38) CYP2D6
SCHEMBL1457217 0.78 HRH3 (0.45)

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-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 TRPV1 649/4885SHBG 817/4885TRPV6 197/4885

“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.