SCHEMBL2807945

SCHEMBL2807945

COCCCOc1cc(CNC2CC2)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
OPRK1 P41145 1/20 0.46
ATM Q13315 1/20 0.46
SLC2A1 P11166 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
LMNA P02545 3/20 0.45
BCHE P06276 2/20 0.45
HTT P42858 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL13448589 0.89 KMT2A (0.53) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL28799062 0.89 MTNR1A (0.47) NPC1PKMRAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL27877409 0.88 MTNR1A (0.47) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL20847771 0.87 NPC1 (0.65) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL89815 0.85 MEN1 (0.54) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL90448 0.85 MEN1 (0.57) NPC1PKMRAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL2806174 0.84 MEN1 (0.53) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31192442 0.82 MEN1 (0.67) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL2807484 0.81 KMT2A (0.47) NPC1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2085628 0.80 MEN1 (0.43) RAB9AKMT2AMEN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 NPC1 2995/4885PKM 780/4885RAB9A 870/4885

“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.