SCHEMBL14596964

SCHEMBL14596964

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Nc1ccc(S(=O)(=O)N3CCCC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.49
▸ HTR1D P28221 4/20 0.49
▸ HTR1B P28222 4/20 0.49
▸ POLB P06746 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL14596983 0.88 CA1 (0.60) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL5452315 0.88 HTR1A (0.49) HTR1AHTR1DHTR1BALDH1A1KMT2A
SCHEMBL14596943 0.88 HTR1A (0.49) HTR1AHTR1DHTR1BALDH1A1KMT2A
SCHEMBL14596940 0.87 HTR1A (0.49) HTR1AHTR1DHTR1BGAAALDH1A1
SCHEMBL14596946 0.86 HTR1A (0.47) HTR1AHTR1DHTR1BALDH1A1KMT2A
SCHEMBL14596985 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BPOLBHTR2A
SCHEMBL14596944 0.85 HTR1A (0.47) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL14596950 0.85 HTR1A (0.47) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL14596942 0.85 HTR1A (0.47) HTR1AHTR1DHTR1BALDH1A1KMT2A
SCHEMBL14596986 0.85 HTR1A (0.60) HTR1AHTR1DHTR1BPOLBHTR2A

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — 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 (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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTR1A 3/4885HTR1D 2/4885HTR1B 1/4885

“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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