SCHEMBL904514

SCHEMBL904514

Cc1cccc(NC(=O)OC2CCC(COC(=O)N3CCCC3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GRM5 P41594 3/20 0.44
NOS2 P35228 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 3/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 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
SCHEMBL904565 0.84 KMT2A (0.42) GRM5NOS2RAB9ANPC1LMNA
SCHEMBL904546 0.84 NOS2 (0.53) NOS2HTTKMT2A
SCHEMBL904566 0.79 OPRM1 (0.38) GRM5MAPTCYP1A2HTTKMT2A
SCHEMBL904574 0.78 CYP2D6 (0.43)
SCHEMBL904440 0.77 BCHE (0.38) SMN1; SMN2ALDH1A1
SCHEMBL904516 0.75 PRSS1 (0.39)
SCHEMBL904497 0.75 DPP4 (0.43) ALDH1A1KMT2A
SCHEMBL904582 0.74 NOS1 (0.41) NOS2ALDH1A1
SCHEMBL904526 0.74 BCHE (0.38)
SCHEMBL904636 0.73 PRSS1 (0.55) RAB9ANPC1ALDH1A1KMT2A

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 TSHR 4301/4885GRM5 102/4885NOS2 1768/4885

“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.