SCHEMBL2547161

SCHEMBL2547161

CN1CCN(c2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
PKM P14618 2/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 2/20 0.56
KAT2B Q92831 7/20 0.51
BRD9 Q9H8M2 3/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
BRD4 O60885 2/20 0.45
BRPF1 P55201 2/20 0.45
BRD7 Q9NPI1 1/20 0.45
DCTPP1 Q9H773 1/20 0.45
BPTF Q12830 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL2550526 0.88 ALDH1A1 (0.58) ALDH1A1PKMNPC1POLBKAT2B
SCHEMBL2549761 0.87 RAB9A (0.59) ALDH1A1PKMNPC1POLBKAT2B
SCHEMBL20831802 0.85 ALDH1A1 (0.56) ALDH1A1PKMNPC1POLBKAT2B
SCHEMBL16133060 0.84 ALDH1A1 (0.55) ALDH1A1PKMNPC1POLBKAT2B
SCHEMBL9124077 0.84 PKM (0.54) ALDH1A1PKMNPC1POLBKAT2B
SCHEMBL23573211 0.80 ALDH1A1 (0.50) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL13219453 0.78 ALDH1A1 (0.59) ALDH1A1PKMNPC1POLBLMNA
SCHEMBL11943534 0.78 ALDH1A1 (0.73) ALDH1A1NPC1POLBLMNAKMT2A
SCHEMBL2187594 0.78 POLB (0.44) ALDH1A1PKMNPC1POLBBRD9
SCHEMBL11946121 0.76 ALDH1A1 (0.51) ALDH1A1PKMPOLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794618-B1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-11-16 EP disclosed
US-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 US disclosed
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-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 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-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
WO-2013092574-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-06-27 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 44/4885PKM 2786/4885NPC1 1221/4885
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 ALDH1A1 842/4885PKM 38/4885NPC1 4276/4885

“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.