SCHEMBL3485104

SCHEMBL3485104

CC(NCC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
F7 P08709 4/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GPR139 Q6DWJ6 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
AGTR1 P30556 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL2294465 0.84 GPR139 (0.59) DPP4ALDH1A1GPR139KMT2AMEN1
SCHEMBL2293528 0.84 GPR139 (0.59) DPP4ALDH1A1GPR139KMT2AMEN1
SCHEMBL2293531 0.84 GPR139 (0.59) DPP4ALDH1A1GPR139KMT2AMEN1
SCHEMBL38655695 0.80 GAA (0.46) F7F2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27852677 0.79 ALDH1A1 (0.43) F7ALDH1A1KMT2AMEN1NPC1
SCHEMBL2298992 0.78 ALDH1A1 (0.61) DPP4ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2299046 0.78 ALDH1A1 (0.61) DPP4ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2298989 0.78 ALDH1A1 (0.61) DPP4ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1901188 0.72 SMN1; SMN2 (0.61) DPP4ALDH1A1GPR139KMT2AMEN1
SCHEMBL1901189 0.72 SMN1; SMN2 (0.61) DPP4ALDH1A1GPR139KMT2AMEN1

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-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 US disclosed
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US 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-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C DPP4 964/4885F7 4149/4885F2 2060/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C DPP4 964/4885F7 4149/4885F2 2060/4885

“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.