SCHEMBL14596958

SCHEMBL14596958

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTR1A P08908 15/20 0.52
▸ HTR1D P28221 15/20 0.52
▸ HTR1B P28222 15/20 0.52
▸ HTR2A P28223 6/20 0.52
▸ HTR2C P28335 6/20 0.52
▸ HTR6 P50406 5/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT3 P36888 1/20 0.47

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
SCHEMBL14596986 0.89 HTR1A (0.60) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL14596982 0.86 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL14627785 0.86 HTR1A (0.51) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL14596985 0.86 HTR1A (0.56) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL14596940 0.86 HTR1A (0.49) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL5452315 0.85 HTR1A (0.49) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL14596983 0.85 CA1 (0.60) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL14596943 0.84 HTR1A (0.49) KMT2AHTR1AHTR1DHTR1BHTR2A
SCHEMBL14596951 0.84 HTR1A (0.55) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL14596957 0.83 HTR1A (0.50) HTR1AHTR1DHTR1BHTR2AHTR2C

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 NPC1 1664/4885MAPT 577/4885RAB9A 838/4885

“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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