SCHEMBL17864792

SCHEMBL17864792

COc1ccc(C=O)cc1CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.55
ALDH1A3 P47895 1/20 0.54
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL25640341 0.99 KDM4E (0.61) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL24234716 0.88 KDM4E (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL17982837 0.87 RXFP1 (0.55) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL348999 0.87 MAPT (0.64) KDM4EL3MBTL1RXFP1ALDH1A1MEN1
SCHEMBL7359117 0.87 ALDH1A1 (0.58) KDM4ETDP1L3MBTL1ALDH1A1MEN1
SCHEMBL29953174 0.86 CYP1A2 (0.57) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL15330421 0.84 RXFP1 (0.52) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL2562461 0.82 MAPT (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL2556584 0.81 NPC1 (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL15332886 0.81 RXFP1 (0.52) KDM4ETDP1L3MBTL1RXFP1ALDH1A1

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
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO 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-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KDM4E 289/4885TDP1 809/4885L3MBTL1 1140/4885

“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.