SCHEMBL14596946

SCHEMBL14596946

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 15/20 0.47
▸ HTR1D P28221 15/20 0.47
▸ HTR1B P28222 15/20 0.47
▸ HTR6 P50406 8/20 0.46
▸ HTR2A P28223 7/20 0.46
▸ HTR2C P28335 7/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DRD2 P14416 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
SCHEMBL14596943 0.91 HTR1A (0.49) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596949 0.89 HTR1A (0.44) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596940 0.89 HTR1A (0.49) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596944 0.89 HTR1A (0.47) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596942 0.89 HTR1A (0.47) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596983 0.88 CA1 (0.60) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL5452315 0.88 HTR1A (0.49) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596931 0.88 LMNA (0.57) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596941 0.88 HTR1A (0.46) HTR1AHTR1DHTR1BHTR6HTR2A
SCHEMBL14596932 0.88 HTR6 (0.55) HTR1AHTR1DHTR1BHTR6HTR2A

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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