SCHEMBL11930058

SCHEMBL11930058

CCOC(=O)N1CCN(c2ccc(C(C)(C)C)cn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.80
▸ HPGD P15428 1/20 0.80
▸ KDM4E B2RXH2 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ PANK3 Q9H999 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ USP30 Q70CQ3 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ SMO Q99835 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL21419313 0.86 HPGD (0.59) SMN1; SMN2HPGDKDM4EMEN1KMT2A
SCHEMBL8291757 0.84 SMN1; SMN2 (0.70) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL12412525 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL12412701 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL11937854 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL7887534 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL8931657 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL9209572 0.81 SMN1; SMN2 (0.66) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL12187728 0.80 MAPT (0.71) SMN1; SMN2HPGDKDM4ELMNAALDH1A1
SCHEMBL8291092 0.80 SMN1; SMN2 (0.65) SMN1; SMN2HPGDKDM4ELMNAALDH1A1

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
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US 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 (3 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SMN1; SMN2 877/4885HPGD 792/4885KDM4E 4021/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SMN1; SMN2 877/4885HPGD 792/4885KDM4E 4021/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SMN1; SMN2 877/4885HPGD 792/4885KDM4E 4021/4885

“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.

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