SCHEMBL2807459

SCHEMBL2807459

COCCCc1cn(C)c2ccc(CNC3CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
ITK Q08881 2/20 0.40
SPR P35270 1/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 3/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 3/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL13132433 0.97 ADRB2 (0.40) ADRB2KDM4ETP53ITKSPR
SCHEMBL2806734 0.77 PARP1 (0.38) ADRB2KDM4ESPRMCHR1
SCHEMBL2806731 0.77 ITK (0.40) KDM4ETP53ITKLMNAMEN1
SCHEMBL27973124 0.77 ALDH1A1 (0.41) KDM4EITKMEN1KMT2AALDH1A1
SCHEMBL91361 0.75 ADRB2 (0.49) ADRB2KDM4ETP53SPRHTR6
SCHEMBL13962816 0.74 ADRB2 (0.48) ADRB2KDM4ETP53SPRHTR6
SCHEMBL1048933 0.74 ADRB2 (0.48) ADRB2KDM4ESPRHTR6LMNA
SCHEMBL13962818 0.74 ADRB2 (0.48) ADRB2KDM4ETP53SPRHTR6
SCHEMBL13132253 0.73 REN (0.40) ITKALDH1A1
SCHEMBL2809449 0.73 REN (0.43) ITKALDH1A1

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 ADRB2 63/4885KDM4E 689/4885TP53 4790/4885

“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.