SCHEMBL2077166

SCHEMBL2077166

CC(C)(C)OC(=O)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
USP2 O75604 1/20 0.62
EPHX1 P07099 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.50
PREP P48147 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL13445 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL3830876 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864905 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18432213 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864899 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19852529 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18097955 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL60470 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL21707988 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
Ammonia Solution, Strong SCHEMBL20236062 0.98 HPGD (0.69) HPGDSMN1; SMN2USP2EPHX1MEN1

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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861070-A Synthesis method of alpha, beta-unsaturated acrylonitrile derivative by visible light catalysis 浙江工业大学 2021-12-31 CN claimed
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP claimed
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP claimed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US claimed
EP-3083561-B1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP claimed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP claimed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP claimed
EP-2909189-B1 HETEROARYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP claimed
EP-3083561-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORYT Janssen Pharmaceutica N.V. (BE) 2016-10-26 EP claimed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US claimed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO claimed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US claimed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US claimed
US-20150105365-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US claimed
WO-2014062658-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO claimed
WO-2014062655-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO claimed
WO-2014062667-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO claimed
US-20140107096-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US claimed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US claimed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA HPGD 1821/4885SMN1; SMN2 4445/4885USP2 3901/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA HPGD 1994/4885SMN1; SMN2 4423/4885USP2 4101/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2341/4885SMN1; SMN2 4560/4885USP2 4272/4885
US-20140107096-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2549/4885SMN1; SMN2 4708/4885USP2 4135/4885
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2168/4885SMN1; SMN2 4233/4885USP2 3993/4885
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2549/4885SMN1; SMN2 4708/4885USP2 4135/4885
US-20150105365-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA HPGD 2442/4885SMN1; SMN2 4417/4885USP2 3878/4885
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2168/4885SMN1; SMN2 4233/4885USP2 3993/4885

“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.