SCHEMBL2805458

SCHEMBL2805458

COCCCn1nc(CC2(NC(=O)O)CC2)c2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 7/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ REN P00797 3/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ IL1B P01584 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL2812259 0.80 REN (0.43) KCNH2RENCNR2CNR1IL1B
SCHEMBL2805455 0.78 REN (0.52) KCNH2REN
SCHEMBL2808531 0.76 REN (0.37) HTR4KCNH2RENMAPK1
SCHEMBL2840438 0.76 REN (0.37) HTR4KCNH2RENMAPK1NR3C1
SCHEMBL2833989 0.74 HRH1 (0.37) HTR4KCNH2RENMAPK1CYP3A4
SCHEMBL2806190 0.73 REN (0.45) HTR4KCNH2RENNR3C1
SCHEMBL2810161 0.70 REN (0.35) KCNH2RENCNR2CNR1NR3C1
SCHEMBL2810347 0.70 KDM4C (0.40) HTR4KCNH2RENMAPK1KDM4C
SCHEMBL2813583 0.68 SLC22A12 (0.39) HTR4KCNH2REN
SCHEMBL2813360 0.68 CNR2 (0.42) KCNH2RENCNR2CNR1IL1B

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 2 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-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 HTR4 1324/4885KCNH2 39/4885REN 1/4885

“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.

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