SCHEMBL1380102

SCHEMBL1380102

CC(CCCN)c1ccc2cccc(N)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
MCHR1 Q99705 11/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP1A2 P05177 2/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NQO2 P16083 1/20 0.33
MAOA P21397 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
MAOB P27338 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL6269582 0.77 KDM4E (0.46) HSP90AA1HSP90AB1CYP1A2ABCB11ESR1
SCHEMBL4780864 0.69 CYP1A2 (0.33) CYP1A2ABCB11ESR1PGRADRB2
SCHEMBL18650205 0.69 ATM (0.41) MCHR1CYP1A2KDM4EALDH1A1LMNA
SCHEMBL27835947 0.65 PDE10A (0.44) HTR3AMCHR1KDM4EALDH1A1CYP3A4
SCHEMBL230460 0.64 METAP2 (0.59) HTR3ACYP1A2KDM4ELMNACYP3A4
SCHEMBL27786392 0.64 METAP2 (0.59) HTR3ACYP1A2KDM4ELMNACYP3A4
SCHEMBL26053800 0.64 PARP1 (0.58) HTR3AMCHR1KDM4EPDE10A
SCHEMBL6307997 0.64 HTR1B (0.45) CYP1A2SLC6A4KDM4EALDH1A1CYP3A4
SCHEMBL19518706 0.64 MCHR1 (0.39) MCHR1KCNH2
SCHEMBL9524194 0.64 LMNA (0.50) MCHR1HSP90AA1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727233-B2 2011-07-20 JP claimed
JP-2006521284-A 2006-09-21 JP claimed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US claimed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP claimed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO claimed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 US claimed

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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 HTR3A 3700/4885MCHR1 1767/4885HSP90AA1 3159/4885

“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.