SCHEMBL17335656

SCHEMBL17335656

NC(=O)CCC1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR6 P50406 2/20 0.49
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
BCHE P06276 1/20 0.41
IDO1 P14902 2/20 0.41
PIN1 Q13526 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
SCHEMBL15882484 1.00 MTNR1A (0.55) MTNR1AMTNR1BHTR6PARP1PARP2
Propionamide SCHEMBL17335710 0.94 MTNR1A (0.50) MTNR1AMTNR1BHTR6BCHE
SCHEMBL17335709 0.86 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL1567103 0.85 MTNR1A (0.56) MTNR1AMTNR1BHTR6BCHEPIN1
SCHEMBL1567102 0.85 MTNR1A (0.56) MTNR1AMTNR1BHTR6BCHEPIN1
SCHEMBL4714587 0.83 HTR6 (0.51) MTNR1AMTNR1BHTR6IDO1PIN1
SCHEMBL6184833 0.83 HTR6 (0.51) MTNR1AMTNR1BHTR6IDO1PIN1
SCHEMBL2406501 0.83 PARP1 (0.52) HTR6PARP1PARP2
SCHEMBL4637304 0.79 MTNR1A (0.53) MTNR1AMTNR1BHTR6EGFRBCHE
SCHEMBL9538125 0.79 MTNR1A (0.50) MTNR1AMTNR1BHTR6PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US claimed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US claimed
CN-114920697-A Heterocyclic group substituted indan propionamide compound and application thereof 河南应用技术职业学院 2022-08-19 CN disclosed
CN-114920697-A Heterocyclic group substituted indan propionamide compound and application thereof 河南应用技术职业学院 2022-08-19 CN disclosed
CN-114920697-A Heterocyclic group substituted indan propionamide compound and application thereof 河南应用技术职业学院 2022-08-19 CN 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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB MTNR1A 348/4885MTNR1B 225/4885HTR6 2485/4885

“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.