SCHEMBL19199025

SCHEMBL19199025

CN1CCCCC2(CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 3/20 0.33
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL19199057 0.92 USP2 (0.41) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL8470445 0.92 TSHR (0.39) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL18535491 0.90 USP2 (0.40) TSHRUSP2CYP1A2CYP2D6CYP3A4
SCHEMBL12946062 0.90 USP2 (0.40) TSHRUSP2CYP1A2CYP2D6CYP3A4
SCHEMBL20047143 0.89 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL1375292 0.89 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL27380027 0.89 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL13890773 0.89 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP2D6
SCHEMBL12890397 0.89 NPSR1 (0.35) TSHRUSP2CYP1A2
SCHEMBL26041077 0.89 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136403-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 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-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 TSHR 2206/4885USP2 2863/4885CYP1A2 569/4885

“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.