SCHEMBL9105977

SCHEMBL9105977

CSc1ccc2c(c1)N(C(CC1CCCC1)C(=O)O)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCKBR P32239 2/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL9106400 0.85 PDE5A (0.38) CCKBROPRM1OPRL1OPRK1RAB9A
SCHEMBL9104327 0.83 CCR5 (0.38) RAB9A
SCHEMBL9108554 0.83 NAMPT (0.37) CCKBROPRM1OPRL1ALDH1A1OPRK1
SCHEMBL9104376 0.83 GRN (0.39) ALDH1A1GRNSORT1
SCHEMBL9106741 0.81 OPRM1 (0.44) CCKBRHPGDOPRM1OPRL1ALDH1A1
SCHEMBL9105098 0.81 GCK (0.51)
SCHEMBL9105121 0.80 GCK (0.35) CCKBRHPGDSMN1; SMN2AKR1C3AKR1C2
SCHEMBL9107495 0.78 PDE5A (0.45) CCKBRRAB9A
SCHEMBL9107932 0.76 CNR2 (0.39) ALDH1A1GRNSORT1
SCHEMBL9106355 0.76 NAMPT (0.37) CCKBRALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT HTR2A 406/4885HTR2C 225/4885HTR2B 1317/4885

“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.