SCHEMBL2808630

SCHEMBL2808630

COCCCn1nc(CNC2CC2)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ITK Q08881 2/20 0.37
REN P00797 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
KCNH2 Q12809 5/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
HTR3A P46098 1/20 0.34
OPRK1 P41145 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL2808785 0.87 MAPK8 (0.38) OPRL1ITKRENKDM4CKCNH2
SCHEMBL27894260 0.85 CCNT1 (0.41) OPRL1HTR2AHTR2CSLC6A4KDM4C
SCHEMBL2809642 0.84 REN (0.48) RENKDM4CKCNH2CYP2D6HTR3A
SCHEMBL13131355 0.81 KDM4C (0.38) RENKDM4CCYP2D6
SCHEMBL2807452 0.81 KDM4C (0.38) RENKDM4C
SCHEMBL1073774 0.77 ICMT (0.44) ITKRENHTR3A
SCHEMBL19597374 0.76 ADORA2A (0.42) RENKDM4C
SCHEMBL15791921 0.75 KDM4E (0.38) KDM4CGRIN2B
SCHEMBL13132445 0.73 ITK (0.38) ITKREN
SCHEMBL27795791 0.73 MAPT (0.44) OPRL1KDM4CKCNH2

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 OPRL1 726/4885HTR2A 1331/4885HTR2C 591/4885

“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.