SCHEMBL16823896

SCHEMBL16823896

CN(Cc1c(F)cccc1F)C(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LIMK2 P53671 1/20 0.37
▸ EED O75530 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL18185657 0.73 ADRA1A (0.66) ADRA1AMEN1KMT2AL3MBTL3KDM4E
SCHEMBL24120195 0.72 HPGD (0.61) MEN1KMT2AHPGDL3MBTL3ALDH1A1
SCHEMBL7434597 0.71 HSD11B1 (0.58) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL1777672 0.70 LMNA (0.71) KMT2AHPGDKDM4EALDH1A1LMNA
Ethylene SCHEMBL8378372 0.69 HSD11B1 (0.55) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7446390 0.68 PKM (0.65) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL263534 0.68 HPGD (0.66) HPGDL3MBTL3KDM4EALOX15ALDH1A1
SCHEMBL3809631 0.68 HPGD (0.60) MEN1KMT2AATMHPGDALDH1A1
SCHEMBL3813497 0.68 SMN1; SMN2 (0.55) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL27491860 0.67 KMT2A (0.54) MEN1KMT2AATMHPGDALDH1A1

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
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

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 ADRA1A 1241/4885MEN1 3937/4885KMT2A 4876/4885

“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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