SCHEMBL904441

SCHEMBL904441

O=C(OCC1CCC(OC(=O)N(Cl)c2ccnc(Cl)c2)CC1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
PTGIR P43119 3/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS3 P29474 2/20 0.35
PROKR1 Q8TCW9 1/20 0.35
MGLL Q99685 1/20 0.35
JMJD6 Q6NYC1 2/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34

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
SCHEMBL904548 0.90 NOS1 (0.39) NOS1NOS2PTGIRALDH1A1LMNA
SCHEMBL904583 0.87 CYP19A1 (0.38) PTGIRPSEN1PSEN2APH1BNCSTN
SCHEMBL904582 0.80 NOS1 (0.41) NOS1NOS2ALDH1A1HPGDNOS3
SCHEMBL904547 0.79 TPSAB1 (0.42) NOS1NOS2ALDH1A1LMNAGLA
SCHEMBL904414 0.77 RAB9A (0.43) PTGIRPSEN1PSEN2APH1BNCSTN
SCHEMBL904431 0.77 CYP19A1 (0.43) PTGIRMAPTGRIN2B
SCHEMBL904508 0.75 CYP2D6 (0.37) PTGIRGRIN2B
SCHEMBL904629 0.75 CYP19A1 (0.40) NOS2ALDH1A1LMNATSHRMAPK1
SCHEMBL904549 0.75 CYP19A1 (0.41) ALDH1A1LMNAGRIN2B
SCHEMBL904612 0.74 GRIN2B (0.39) NOS2ALDH1A1PSEN1PSEN2APH1B

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 5 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-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 NOS1 2764/4885NOS2 1768/4885PTGIR 18/4885

“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.