SCHEMBL16566264

SCHEMBL16566264

CC1(C2CCC2)C(=O)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.53
▸ PDK4 Q16654 1/20 0.53
▸ HTT P42858 2/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ IDO1 P14902 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL16566112 0.95 PDK2 (0.58) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL19411766 0.86 POLB (0.49) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL7474382 0.75 HTT (0.48) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL7348224 0.74 MEN1 (0.48) KMT2APOLBGAAMEN1MAPK1
SCHEMBL24281038 0.73 IDO1 (0.63) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL18552508 0.72 IDO1 (0.61) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL18552511 0.72 IDO1 (0.61) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL15499981 0.71 PDK2 (0.50) PDK2PDK4ALDH1A1KMT2APOLB
SCHEMBL2313519 0.71 PDK2 (0.64) PDK2PDK4HTTAPOBEC3AHSD17B10
SCHEMBL2313521 0.71 PDK2 (0.64) PDK2PDK4HTTAPOBEC3AHSD17B10

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-3041821-B1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INT (DE) 2018-05-30 — — EP disclosed
US-9745267-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 — — US disclosed
US-20160251310-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-01 — — US disclosed
WO-2015035032-A1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-12 — — 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-20160251310-A1 COMPOUNDS AS MODULATORS OF RORC RORC, RORB, RORA PDK2 1781/4885PDK4 1738/4885HTT 4644/4885

“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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