SCHEMBL904820

SCHEMBL904820

O=C(NCc1ccccn1)OC1CCC(COC(=O)N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.43
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CNR2 P34972 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 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
SCHEMBL904606 0.99 HPGD (0.46) HPGDRECQLTSHRKMT2AMEN1
SCHEMBL904809 0.90 ALDH1A1 (0.42) HPGDRECQLTSHRKMT2AMEN1
SCHEMBL904816 0.90 ALDH1A1 (0.42) HPGDRECQLTSHRKMT2AMEN1
SCHEMBL904460 0.89 RAB9A (0.44) TSHRALDH1A1NOS2KDM4ESMN1; SMN2
SCHEMBL904636 0.85 PRSS1 (0.55) KMT2AMEN1ALDH1A1GAA
SCHEMBL904516 0.84 PRSS1 (0.39) CNR2ADORA2A
SCHEMBL904457 0.84 ALDH1A1 (0.45) KMT2AALDH1A1NOS2KDM4E
SCHEMBL904565 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1NOS2KDM4E
SCHEMBL904611 0.83 FAAH (0.46) HPGDKMT2AMEN1ALDH1A1NOS2
SCHEMBL904546 0.83 NOS2 (0.53) KMT2AMEN1NOS2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621899-B1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2015-10-21 EP disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
WO-2012044046-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-04-05 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-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF OPRK1, OPRM1, OPRL1 HPGD 660/4885RECQL 3690/4885TSHR 4301/4885

“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.