SCHEMBL20964685

SCHEMBL20964685

O=C(C1C=CC=C1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.62
▸ HTR7 P34969 2/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ HTR6 P50406 1/20 0.62
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ AKR1C3 P42330 1/20 0.57
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NR1H4 Q96RI1 1/20 0.55

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
SCHEMBL20965418 0.86 DRD2 (0.47) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL20964530 0.84 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL20964570 0.84 MEN1 (0.62) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL20964581 0.81 POLB (0.70) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5537738 0.79 HTR1A (0.73) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL1458090 0.79 HTR1A (0.73) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL6714846 0.78 ALDH1A1 (0.75) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL11100857 0.78 ALDH1A1 (0.75) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL13453343 0.77 HTR1A (0.71) HTR1AHTR7HTR2AHTR6CA12
SCHEMBL27875601 0.77 HTR1A (0.71) HTR1AHTR7HTR2AHTR6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 — — US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 — — 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 HTR1A 2678/4885HTR7 2952/4885HTR2A 4179/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 HTR1A 2699/4885HTR7 2171/4885HTR2A 3488/4885

“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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