SCHEMBL2173522

SCHEMBL2173522

Fc1ccc(C2CCNCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 6/20 0.41
HTR1A P08908 6/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
USP7 Q93009 1/20 0.38

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
SCHEMBL28239769 0.89 MPO (0.44) MKNK1MKNK2OPRM1OPRL1
SCHEMBL14026218 0.86 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL20757564 0.81 CHRNB2 (0.43) OPRM1OPRL1
SCHEMBL31737023 0.78 SLC18A3 (0.47) HRH4SLC18A3SIGMAR1HRH3
SCHEMBL18740585 0.78 USP7 (0.50) OPRM1OPRL1HRH4SLC18A3SIGMAR1
SCHEMBL31127661 0.78 OPRM1 (0.41) OPRM1OPRL1HRH4SLC18A3SIGMAR1
SCHEMBL171433 0.78 HRH4 (0.39) MKNK1MKNK2HRH4SLC18A3SIGMAR1
SCHEMBL3063348 0.78 OPRM1 (0.41) OPRM1OPRL1HRH4SLC18A3SIGMAR1
SCHEMBL171235 0.78 HRH4 (0.46) MKNK1MKNK2HRH4SLC18A3SIGMAR1
SCHEMBL2885151 0.78 HTR3A (0.46) SLC6A2SLC6A4HTR1AHRH4SLC18A3

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
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
US-7973056-B2 Triazole derivative or salt thereof FUJIFILM FINECHEMICALS CO., LTD (JP) 2011-07-05 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF FUJIFILM FINECHEMICALS CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128155-A1 Triazole derivative or salt thereof Fujifilm Finechemicals Co. Ltd. (JP) 2009-12-02 EP 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 (4 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MKNK1 1433/4885MKNK2 1886/4885SLC6A2 545/4885
US-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 MKNK1 2643/4885MKNK2 2205/4885SLC6A2 366/4885
US-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HDAC3, JAK2, STAT3 MKNK1 3669/4885MKNK2 3384/4885SLC6A2 1133/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 MKNK1 2643/4885MKNK2 2205/4885SLC6A2 366/4885

“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.