SCHEMBL16699565

SCHEMBL16699565

O=C(Nc1ccc(F)cc1)Nc1ccc(CN(Cc2ccccc2)Cc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ POLB P06746 3/20 0.59
▸ MAOB P27338 1/20 0.59
▸ KMT2A Q03164 2/20 0.56
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RORC P51449 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 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
Hydrochloric Acid SCHEMBL16701115 0.98 RAB9A (0.57) RAB9ANPC1POLBMAOBKMT2A
SCHEMBL16699327 0.93 KMT2A (0.53) RAB9ANPC1POLBMAOBKMT2A
SCHEMBL16700835 0.90 TP53 (0.61) RAB9ANPC1POLBMAOBKMT2A
Hydrochloric Acid SCHEMBL16700892 0.89 TP53 (0.59) RAB9ANPC1POLBMAOBKMT2A
SCHEMBL16699400 0.84 NPC1 (0.59) RAB9ANPC1POLBKMT2ASMN1; SMN2
SCHEMBL16700048 0.83 RORC (0.55) RAB9ANPC1POLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL15393387 0.83 NPC1 (0.57) RAB9ANPC1POLBKMT2ASMN1; SMN2
SCHEMBL18938835 0.81 NPC1 (0.63) RAB9ANPC1POLBKMT2ASMN1; SMN2
SCHEMBL11056635 0.81 SMN1; SMN2 (0.74) RAB9ANPC1POLBMAOBKMT2A
SCHEMBL15393495 0.80 POLB (0.54) RAB9ANPC1POLBKMT2ASMN1; SMN2

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 RAB9A 1672/4885NPC1 1181/4885POLB 2115/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1933/4885NPC1 1465/4885POLB 2178/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L RAB9A 2135/4885NPC1 2105/4885POLB 2551/4885

“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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