SCHEMBL4125518

SCHEMBL4125518

O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
P2RY12 Q9H244 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMO Q99835 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4936807 0.85 HRH3 (0.51) HRH3KMT2ALMNAPOLBPKM
SCHEMBL4130587 0.82 HRH3 (0.51) HRH3SMOADRA1A
SCHEMBL23183064 0.81 KMT2A (0.57) KMT2AMEN1HDAC1CHRNB2CHRNA7
SCHEMBL14027177 0.79 HRH3 (0.64) HRH3SMOADRA1A
SCHEMBL4936546 0.79 HRH3 (0.64) HRH3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19580906 0.79 KMT2A (0.52) HRH3KMT2AMEN1HDAC1CHRNB2
SCHEMBL19581023 0.78 KMT2A (0.50) HRH3KMT2AMEN1HDAC1CHRNB2
SCHEMBL19580700 0.78 KMT2A (0.53) HRH3KMT2AMEN1HDAC1CHRNB2
SCHEMBL4433768 0.77 ADRA1A (0.57) HRH3ALDH1A1KDM4EPOLBADRA1A
SCHEMBL19581104 0.77 KMT2A (0.55) KMT2AMEN1HDAC1CHRNB2CHRNA7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 EP disclosed
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
EP-2871180-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT Agro-Kanesho Co., Ltd. (JP) 2015-05-13 EP disclosed
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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 (2 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 270/4885MEN1 1522/4885
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT HDHD5, BCAT1, ACMSD HRH3 498/4885KMT2A 1247/4885MEN1 823/4885

“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.