SCHEMBL6214597

SCHEMBL6214597

NCc1cc(Cl)ccc1OCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.57
▸ NOS3 P29474 1/20 0.54
▸ NOS1 P29475 1/20 0.54
▸ NOS2 P35228 1/20 0.54
▸ HTR1A P08908 2/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ PTGER1 P34995 4/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45

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
Picolamine SCHEMBL29071785 0.91 MEN1 (0.53) SLC6A4NOS3NOS1NOS2HTR1A
SCHEMBL7489582 0.86 SLC6A4 (0.57) SLC6A4HTR1ADRD2MEN1HTT
SCHEMBL1196687 0.83 CCR5 (0.64) SLC6A4CCR5KMT2AMRGPRX4PTGER1
Hydrochloric Acid SCHEMBL6214742 0.81 CCR5 (0.62) SLC6A4CCR5KMT2AMRGPRX4PTGER1
Ammonia Solution, Strong SCHEMBL29071779 0.81 MRGPRX4 (0.53) SLC6A4CCR5HTTMRGPRX4PTGER1
Hydrochloric Acid SCHEMBL6213322 0.80 MRGPRX4 (0.62) SLC6A4CCR5MRGPRX4
SCHEMBL31252511 0.79 MEN1 (0.75) MEN1HTTKMT2APTGER1LRRK2
Hydrochloric Acid SCHEMBL6215773 0.78 CCR5 (0.75) SLC6A4CCR5MRGPRX4PTGER1
SCHEMBL6216769 0.78 GRM5 (0.54) SLC6A4HTR1ADRD2MEN1HTT
SCHEMBL30335622 0.77 SLC6A4 (0.56) SLC6A4HTR1ADRD2MEN1HTT

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
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 — — US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 — — 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 (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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SLC6A4 1655/4885NOS3 68/4885NOS1 790/4885

“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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