SCHEMBL2544338

SCHEMBL2544338

CN(C)c1cnn(C)c(=O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ KAT2B Q92831 5/20 0.53
▸ BRD9 Q9H8M2 4/20 0.53
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ GAA P10253 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BPTF Q12830 7/20 0.45
▸ BRD4 O60885 3/20 0.45
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL6484911 0.85 GAA (0.64) RAB9ANPC1LMNACYP1A2CYP3A4
SCHEMBL4161199 0.77 ALDH1A1 (0.40) RAB9ANPC1LMNACYP1A2CYP3A4
SCHEMBL979278 0.75 KAT2B (0.60) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL7017552 0.74 ALDH1A1 (0.39) RAB9ANPC1LMNACYP1A2CYP3A4
SCHEMBL14074017 0.74 KAT2B (0.58) RAB9AALDH1A1KAT2BBRD9GAA
Hydrochloric Acid SCHEMBL17912386 0.74 KAT2B (0.58) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL9397355 0.73 RAB9A (0.76) RAB9ANPC1LMNACYP1A2CYP3A4
SCHEMBL23755064 0.72 KAT2B (0.56) RAB9AALDH1A1KAT2BBRD9GAA
SCHEMBL17912364 0.72 KAT2B (0.56) RAB9AALDH1A1KAT2BBRD9GAA
SCHEMBL7010722 0.72 KAT2B (0.56) RAB9AALDH1A1KAT2BBRD9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 — — EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 — — US disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 — — US disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 — — US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 — — US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 — — US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 — — US disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 — — WO 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-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 RAB9A 3445/4885NPC1 1221/4885LMNA 3134/4885

“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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