SCHEMBL6329378

SCHEMBL6329378

COc1ccc(CN2CCC(N)CC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
CXCR3 P49682 1/20 0.54
MTNR1B P49286 2/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
MCHR1 Q99705 2/20 0.51
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GPR6 P46095 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
PDE2A O00408 1/20 0.46

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
SCHEMBL23179562 0.87 ADRB2 (0.57) ADRB2CXCR3MTNR1BKMT2AMEN1
SCHEMBL2226923 0.84 ALDH1A1 (0.62) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL21338488 0.82 KDM4E (0.64) ADRB2CXCR3MTNR1BKMT2AMEN1
SCHEMBL1394116 0.81 KDM4E (0.54) ADRB2CXCR3MTNR1BKMT2AMEN1
SCHEMBL23775458 0.81 OPRM1 (0.51) CXCR3KDM4ETSHRALDH1A1TDP1
SCHEMBL8107893 0.81 KDM4E (0.66) CXCR3KCNH2KDM4EALDH1A1TDP1
SCHEMBL6948669 0.81 KDM4E (0.66) CXCR3KCNH2KDM4EALDH1A1TDP1
SCHEMBL17009558 0.80 CYP1A2 (0.54) ADRB2CXCR3MTNR1BKMT2AMEN1
SCHEMBL23178666 0.79 KDM4E (0.46) MTNR1BKMT2AKDM4ELMNATSHR
SCHEMBL23178667 0.79 KDM4E (0.46) MTNR1BKMT2AKDM4ELMNATSHR

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
CN-112574176-B Heteroaryl compound and application thereof 隆泰申医药科技(南京) 有限公司 2024-03-15 CN disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 WO disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
US-20050187387-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-08-25 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ADRB2 559/4885CXCR3 4091/4885MTNR1B 50/4885

“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.