SCHEMBL18920792

SCHEMBL18920792

c1cc(CN[C@@H]2CCCC[C@H]2NCc2ccncc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
EPHX1 P07099 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
GLA P06280 1/20 0.47
STAT3 P40763 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SSTR3 P32745 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP19A1 P11511 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
SCHEMBL26620801 0.91 KDM1A (0.49) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL27010659 0.88 KDM1A (0.47) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL28218657 0.85 KDM1A (0.47) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL25992753 0.84 HRH3 (0.63) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL26620802 0.84 KDM1A (0.46) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL5863541 0.82 HRH3 (0.67) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL2798417 0.79 KDM1A (0.58) KDM1AMAOAMAOBEPHX1SSTR3
SCHEMBL2197651 0.79 KDM1A (0.58) KDM1AMAOAMAOBEPHX1SSTR3
SCHEMBL2197644 0.79 KDM1A (0.58) KDM1AMAOAMAOBEPHX1SSTR3
SCHEMBL2198525 0.79 KDM1A (0.58) KDM1AMAOAMAOBEPHX1SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271344-B1 PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2020-08-26 EP disclosed
US-10377732-B2 Process for preparing aminotetrahydropyrans F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-13 US disclosed
US-20180290995-A1 Process For Preparing Aminotetrahydropyrans F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-10-11 US disclosed
EP-3271344-A1 PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2018-01-24 EP disclosed
WO-2017093209-A1 PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2017-06-08 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 (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-10377732-B2 Process for preparing aminotetrahydropyrans DPP4, DPP3, DPP9 KDM1A 1344/4885MAOA 652/4885MAOB 903/4885
US-20180290995-A1 Process For Preparing Aminotetrahydropyrans DPP4, DPP3, DPP9 KDM1A 1344/4885MAOA 652/4885MAOB 903/4885

“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.