SCHEMBL16699922

SCHEMBL16699922

Cc1ccc(NC(=O)Nc2ccc(CN(Cc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)Cc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.62
▸ RAB9A P51151 6/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PTPN7 P35236 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ RORC P51449 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ GFER P55789 1/20 0.49

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
SCHEMBL16699400 0.94 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL18938835 0.94 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL15393387 0.92 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL16700902 0.92 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL15393495 0.88 POLB (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL12711073 0.83 SAE1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL1275920 0.82 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL16700835 0.82 TP53 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL16920251 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4112512 0.81 RAB9A (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 — — US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 — — US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 — — US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 — — US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 — — US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 — — US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 — — US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 — — US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 — — US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 — — 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 (3 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1181/4885RAB9A 1672/4885SMN1; SMN2 2862/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1465/4885RAB9A 1933/4885SMN1; SMN2 3065/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L NPC1 2105/4885RAB9A 2135/4885SMN1; SMN2 3721/4885

“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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