SCHEMBL88762

SCHEMBL88762

CCc1cc(OCCCOC)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.52
AGTR1 P30556 2/20 0.46
AGTR2 P50052 1/20 0.46
ACP1 P24666 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
SCHEMBL89580 0.87 NCF1 (0.49) NCF1ACP1
SCHEMBL89579 0.87 NCF1 (0.49) NCF1ACP1
SCHEMBL30388617 0.87 NCF1 (0.51) NCF1AGTR1AGTR2
SCHEMBL23716946 0.84 NCF1 (0.51) NCF1AGTR1AGTR2
SCHEMBL30388939 0.84 NCF1 (0.51) NCF1AGTR1AGTR2
SCHEMBL8290938 0.82 LMNA (0.58) AGTR1AGTR2
SCHEMBL27795810 0.81 NCF1 (0.51) NCF1ACP1
SCHEMBL27774889 0.81 NCF1 (0.43) NCF1ACP1
SCHEMBL89578 0.80 NCF1 (0.42) NCF1ACP1
Hydrochloric Acid SCHEMBL2809059 0.79 NCF1 (0.41) NCF1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 NCF1 4177/4885AGTR1 2/4885AGTR2 3/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 NCF1 3515/4885AGTR1 3/4885AGTR2 8/4885

“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.