SCHEMBL1772161

SCHEMBL1772161

CCCNc1ccc(CCC)c(N)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
HDAC6 Q9UBN7 1/20 0.32
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
HCAR3 P49019 1/20 0.31
APP P05067 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL11478698 0.74 PRKCI (0.35) KDM4EALDH1A1MAPT
SCHEMBL19751552 0.71 HDAC6 (0.40) IDO1HDAC6NPC1ALDH1A1MAPT
SCHEMBL8107061 0.71 ATP4A (0.39) ALDH1A1
SCHEMBL20439755 0.70 IDO1 (0.38) IDO1KDM4EGAANPC1ALDH1A1
SCHEMBL3668915 0.70 IKBKB (0.36) METAP2KDM4EGAAALDH1A1MAPT
SCHEMBL1148594 0.69 TSHR (0.48) IDO1HDAC6KDM4EGAANPC1
SCHEMBL10409004 0.68 ADRA2B (0.50) IDO1MAPT
SCHEMBL19972040 0.67 PRKCI (0.32)
SCHEMBL25476261 0.67 NOS2 (0.47) KDM4EALDH1A1KDM6BKDM4C
SCHEMBL10408185 0.67 CCNC (0.43) IDO1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 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-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR IDO1 1719/4885HDAC6 1808/4885METAP2 2371/4885

“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.