SCHEMBL16845182

SCHEMBL16845182

COC(=O)c1ccc(C(=O)Nc2c(C)noc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.56
▸ BRD2 P25440 1/20 0.51
▸ ATM Q13315 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 5/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ATAD2 Q6PL18 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL1670485 0.87 BRD4 (0.66) BRD4BRD2NPC1RAB9AMAPT
SCHEMBL16845109 0.85 BRD4 (0.55) BRD4BRD2ATMNPC1RAB9A
SCHEMBL14098961 0.79 RAB9A (0.61) BRD4BRD2ATMNPC1RAB9A
SCHEMBL20510965 0.79 CA1 (0.51) BRD4BRD2MAPTTDP1ALDH1A1
SCHEMBL8488339 0.78 BRD4 (0.55) BRD4BRD2NPC1RAB9AMAPT
SCHEMBL16823776 0.74 HTT (0.46) BRD4BRD2ATMMAPTALDH1A1
SCHEMBL20511019 0.72 PTPN1 (0.51) BRD4BRD2ATMNPC1RAB9A
SCHEMBL3599701 0.71 BRD4 (0.46) BRD4BRD2MAPTALDH1A1MEN1
SCHEMBL20510987 0.70 ALDH1A1 (0.79) NPC1RAB9AMAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL1375757 0.70 BRD4 (0.45) BRD4BRD2MAPTALDH1A1MEN1

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 3 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
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 BRD4 1771/4885BRD2 953/4885ATM 3179/4885

“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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