SCHEMBL5446440

SCHEMBL5446440

COc1ccc(N2CCNCC2)c2c1CCN(C(=O)Cc1ccc(C(C)C)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ PTGDR2 Q9Y5Y4 10/20 0.41
▸ PANK3 Q9H999 5/20 0.41

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
SCHEMBL5465878 0.90 MAPT (0.45) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5449739 0.86 NPC1 (0.45) NPC1KMT2APTGDR2
SCHEMBL5464263 0.83 HDAC1 (0.47) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5454941 0.82 NPC1 (0.47) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5452220 0.81 NPC1 (0.44) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5452259 0.80 MAPT (0.46) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5456290 0.80 MAPT (0.46) HTR6NPC1KMT2AABCB1ABCC1
Ammonia Solution, Strong SCHEMBL5452545 0.80 MAPT (0.46) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5449891 0.79 GFER (0.47) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5446341 0.79 MAPT (0.59) NPC1KMT2AABCB1ABCC1

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 3 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
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 HTR6 14/4885NPC1 1664/4885KMT2A 1271/4885

“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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