SCHEMBL904644

SCHEMBL904644

O=C(OC1CCC(COC(=O)N2CCCC2)CC1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
JMJD6 Q6NYC1 3/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
GRIN2B Q13224 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL904511 0.86 ALDH1A1 (0.46) MAPTALDH1A1POLBCYP2D6CYP2C9
SCHEMBL904574 0.83 CYP2D6 (0.43) CYP19A1CYP2D6CYP2C9GRIN2B
SCHEMBL904400 0.81 NOS2 (0.46) KDM4EALDH1A1HRH3GRIN2BL3MBTL1
SCHEMBL904583 0.81 CYP19A1 (0.38) CYP19A1HRH3CYP2D6CYP2C9GRIN2B
SCHEMBL904469 0.81 KDM4E (0.40) TSHRKDM4EGLARAB9AALDH1A1
SCHEMBL904430 0.81 TPSAB1 (0.48) MAPTCYP19A1CYP2D6CYP2C9GRIN2B
SCHEMBL904431 0.81 CYP19A1 (0.43) MAPTCYP19A1HRH3CYP2D6CYP2C9
SCHEMBL904508 0.79 CYP2D6 (0.37) CYP19A1HRH3CYP2D6CYP2C9GRIN2B
SCHEMBL904628 0.79 TPSAB1 (0.47) MAPTALDH1A1POLBCYP19A1HRH3
SCHEMBL904629 0.79 CYP19A1 (0.40) TSHRKDM4EALDH1A1MAPK1CYP19A1

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 9 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-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
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
EP-2621899-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2013-08-07 EP 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 MAPT 1937/4885TSHR 4301/4885KDM4E 1416/4885

“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.