SCHEMBL6376236

SCHEMBL6376236

Clc1cc(N2CCNCC2)c2cc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.60
HTR6 P50406 2/20 0.60
GOT1 P17174 2/20 0.54
NCF1 P14598 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR3E A5X5Y0 4/20 0.47
HTR3B O95264 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3D Q70Z44 4/20 0.47
HTR3C Q8WXA8 4/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5704758 0.83 GOT1 (0.56) ADRB1HTR6GOT1NCF1DRD2
SCHEMBL18690971 0.81 HTR6 (0.60) ADRB1HTR6GOT1NCF1ADRB2
SCHEMBL31652183 0.79 HTR6 (0.57) ADRB1HTR6GOT1NCF1ADRB2
SCHEMBL27421762 0.78 ADRB2 (0.54) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL6637833 0.78 ADRB1 (0.56) ADRB1HTR6NCF1HTR3EHTR3B
SCHEMBL1012802 0.76 ADRB1 (1.00) ADRB1HTR6GOT1NCF1HTR3E
SCHEMBL18690899 0.74 GOT1 (0.62) GOT1GAAMAPTRECQL
Hydrochloric Acid SCHEMBL6730585 0.74 ADRB1 (0.97) ADRB1HTR6GOT1NCF1HTR3E
Hydrochloric Acid SCHEMBL4662618 0.74 ADRB1 (0.97) ADRB1HTR6GOT1NCF1HTR3E
SCHEMBL21894610 0.74 HTR7 (0.50) ADRB1HTR6NCF1ADRB2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166924-B1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2019-02-20 EP disclosed
US-9974785-B2 Aromatic heterocyclic derivatives and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-05-22 US disclosed
US-20170096392-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-06 US disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 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-20170096392-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF HTR6, HTR3A, HTR5A ADRB1 67/4885HTR6 1/4885GOT1 1868/4885
US-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 ADRB1 346/4885HTR6 22/4885GOT1 2552/4885

“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.