SCHEMBL3181536

SCHEMBL3181536

CN1CCN(CCCNCc2ccc(CNCCN3CCCC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.62
▸ CXCR4 P61073 6/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ SIGMAR1 Q99720 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44

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
SCHEMBL3171019 0.98 DPP7 (0.60) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3171946 0.97 DPP7 (0.57) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3181062 0.92 CYP2C19 (0.55) DPP7CXCR4CYP3A4CYP2D6CYP2C19
SCHEMBL3176696 0.92 DPP7 (0.72) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3175086 0.91 DPP7 (0.70) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3179432 0.89 DPP7 (0.66) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3185540 0.87 CYP2C19 (0.67) DPP7KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL14287710 0.85 HRH3 (0.70) HRH3
SCHEMBL3165932 0.85 DPP7 (0.82) DPP7CXCR4KMT2ACYP3A4CYP2D6
SCHEMBL3175514 0.84 CYP2C19 (0.70) DPP7KMT2ACYP3A4CYP2D6SCN5A

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
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 — — US claimed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 — — EP claimed
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 — — US disclosed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 — — EP 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-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS MSR1, CCR5, CD4 DPP7 4221/4885CXCR4 117/4885KMT2A 2638/4885

“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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