SCHEMBL8849

SCHEMBL8849

Cc1cccc(C(=O)N2CCCC2)c1Br

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
HPGD P15428 8/20 0.53
GAA P10253 2/20 0.51
TSHR P16473 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
MGLL Q99685 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL20284886 0.98 HTT (0.61) HTTHPGDGAATSHRNPSR1
SCHEMBL14688615 0.86 HTT (0.58) HTTGAANPSR1ALDH1A1KMT2A
SCHEMBL12569384 0.83 HTT (0.67) HTTHPGDGAATSHRNPSR1
SCHEMBL30530619 0.82 HTT (0.89) HTTHPGDTSHRNPSR1ALDH1A1
SCHEMBL1520613 0.82 HTT (0.89) HTTHPGDTSHRNPSR1ALDH1A1
SCHEMBL29816719 0.81 HTT (0.65) HTTHPGDGAATSHRNPSR1
SCHEMBL12845077 0.81 HTT (0.65) HTTHPGDGAATSHRNPSR1
SCHEMBL10330512 0.81 HTT (0.86) HTTHPGDTSHRNPSR1ALDH1A1
SCHEMBL2538595 0.81 HTT (0.86) HTTHPGDTSHRNPSR1ALDH1A1
SCHEMBL24883963 0.80 P2RX7 (0.63) HTTHPGDGAATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185404-B 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2022-08-05 CN disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B HTT 2538/4885HPGD 2637/4885GAA 230/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP HTT 2393/4885HPGD 3002/4885GAA 326/4885

“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.