SCHEMBL14074875

SCHEMBL14074875

COC(=O)C1(Cc2cccnc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
GPR132 Q9UNW8 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8283152 0.83 NAPRT (0.50) KDM4EGPR132NAPRTRECQLCYP1A2
SCHEMBL14074874 0.83 CYP19A1 (0.50) MAPTKDM4ECYP17A1CYP19A1GAA
SCHEMBL4907162 0.83 TACR1 (0.47) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL30683842 0.81 TACR1 (0.48) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL8283758 0.80 ALDH1A1 (0.43) KMT2AMEN1KDM4EPOLBRAB9A
SCHEMBL3946074 0.80 MAPT (0.62) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL21827080 0.75 NAPRT (0.54) KDM4ENAPRTRECQLCYP1A2CYP3A4
SCHEMBL31125455 0.75 NAPRT (0.54) KDM4ENAPRTRECQLCYP1A2CYP3A4
SCHEMBL30683845 0.75 SSTR4 (0.48) KMT2AMEN1KDM4EPOLBRAB9A
SCHEMBL15960834 0.75 TACR1 (0.50) MAPTKMT2AMEN1KDM4ETSHR

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-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 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-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 MAPT 4108/4885KMT2A 2559/4885MEN1 4822/4885

“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.