SCHEMBL16823776

SCHEMBL16823776

Cc1noc(C)c1NC(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RIPK1 Q13546 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ BRD4 O60885 3/20 0.43
▸ LMNA P02545 6/20 0.43
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16823957 0.79 SMN1; SMN2 (0.43) HTTHPGDSMN1; SMN2KDM1A
SCHEMBL16845109 0.76 BRD4 (0.55) HTTRIPK1SMN1; SMN2BRD4LMNA
SCHEMBL18185580 0.76 ADRA1A (0.52) SMN1; SMN2
SCHEMBL16845182 0.74 BRD4 (0.56) HPGDRIPK1SMN1; SMN2BRD4LMNA
SCHEMBL1670485 0.73 BRD4 (0.66) SMN1; SMN2BRD4LMNAALDH1A1NPSR1
SCHEMBL18185598 0.73 ADRA1A (0.46) POLB
SCHEMBL24120195 0.72 HPGD (0.61) HPGDSMN1; SMN2LMNATSHRPKM
SCHEMBL14467293 0.72 HTT (0.47) HTTHPGDSMN1; SMN2LMNATSHR
Ethylene SCHEMBL8380995 0.72 PKM (0.61) HPGDLMNAPKMALDH1A1GAA
SCHEMBL14098961 0.71 RAB9A (0.61) RIPK1SMN1; SMN2BRD4LMNAALDH1A1

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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 — — EP disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 HTT 4404/4885HPGD 2183/4885RIPK1 2315/4885

“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.

Send feedback