SCHEMBL17833755

SCHEMBL17833755

Cc1cc2c(cc1CO)C(CO)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GHSR Q92847 12/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL17833754 0.85 GHSR (0.42) NR1H2GHSRESR2
SCHEMBL17833756 0.83 GHSR (0.39) MEN1KMT2ANR1H2GHSR
SCHEMBL12295500 0.81 GHSR (0.39) MEN1KMT2ALMNANR1H2CYP3A4
SCHEMBL12295499 0.81 GHSR (0.39) MEN1KMT2ALMNANR1H2CYP3A4
SCHEMBL24325412 0.78 MEN1 (0.44) MEN1KMT2ANR1H2GHSRESR2
SCHEMBL16203017 0.78 GHSR (0.49) MEN1KMT2ANR1H2GHSRESR2
SCHEMBL17833752 0.78 GHSR (0.41) MEN1KMT2ALMNAGHSR
SCHEMBL17833757 0.77 ALDH1A1 (0.42) MEN1KMT2ALMNA
SCHEMBL17833751 0.77 GHSR (0.36) MEN1KMT2ALMNANR1H2GHSR
SCHEMBL18066403 0.77 MEN1 (0.50) MEN1KMT2ANR1H2GHSRMTNR1B

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-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 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-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 MEN1 2432/4885KMT2A 1269/4885LMNA 2556/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MEN1 3715/4885KMT2A 780/4885LMNA 3070/4885

“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.