SCHEMBL904815

SCHEMBL904815

O=C(OCC1CCC(OCc2cccc[n+]2[O-])CC1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
KDM1A O60341 3/20 0.35
CYP2C19 P33261 1/20 0.34
ENPP2 Q13822 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
GRIN2B Q13224 1/20 0.34
MAOA P21397 1/20 0.33

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
SCHEMBL15198665 0.84 DPP4 (0.45) GAA
SCHEMBL15198662 0.83 PRSS1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904678 0.81 F2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904485 0.81 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1
SCHEMBL904526 0.78 BCHE (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904415 0.76 ALDH1A1 (0.47) GRIN2B
SCHEMBL20601116 0.70 ALDH1A1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30231122 0.70 KMT2A (0.44) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL15198661 0.69 TPSAB1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29233709 0.69 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 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
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 PSEN1 3800/4885PSEN2 3320/4885APH1B 3400/4885

“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.