SCHEMBL7083627

SCHEMBL7083627

COc1ccccc1Oc1cccc(N2CCNCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 6/20 0.70
▸ HTR7 P34969 6/20 0.65
▸ HTR1A P08908 6/20 0.64
▸ HTR3E A5X5Y0 3/20 0.55
▸ HTR3B O95264 3/20 0.55
▸ HTR3A P46098 3/20 0.55
▸ HTR3D Q70Z44 3/20 0.55
▸ HTR3C Q8WXA8 3/20 0.55
▸ SIGMAR1 Q99720 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ SLC6A4 P31645 3/20 0.54
▸ SLC6A2 P23975 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTR2C P28335 2/20 0.53
▸ SLC6A3 Q01959 1/20 0.52
▸ LTA4H P09960 1/20 0.51

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
SCHEMBL7483034 0.85 LTA4H (0.67) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL379449 0.83 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL7838014 0.83 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
Bromide SCHEMBL4875933 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7757785 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
Bromide SCHEMBL27617608 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL1024982 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL1706127 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL5669070 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B
Piperazine SCHEMBL28092166 0.82 ADRB1 (0.97) ADRB1HTR7HTR1AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040639-A1 Method for the preparation of substituted benzene derivatives H. LUNDBECK A/S (DK) 2003-02-27 — — US disclosed
EP-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 — — EP disclosed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 — — 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 (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-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST ADRB1 3918/4885HTR7 1971/4885HTR1A 3727/4885

“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.

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