SCHEMBL2684640

SCHEMBL2684640

O=Cc1cc(F)ccc1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP6 P55212 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR2 O43614 2/20 0.38
CYP11B2 P19099 2/20 0.36
ERN1 O75460 1/20 0.36
GRM5 P41594 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL19127571 0.86 TRIM24 (0.39) HCRTR1TRIM24TRIM33KMT2ACASP6
SCHEMBL27870877 0.81 METAP1 (0.46) HCRTR1CASP6RAB9AHCRTR2ERN1
SCHEMBL16278038 0.79 ERN1 (0.38) TRIM24TRIM33KMT2ARAB9AERN1
SCHEMBL2686250 0.79 ALDH1A1 (0.42) HCRTR1TRIM24TRIM33KMT2ARAB9A
SCHEMBL3679520 0.76 MEN1 (0.46) TRIM24TRIM33KMT2AERN1
SCHEMBL14840571 0.75 ERN1 (0.45) CYP11B2ERN1
SCHEMBL27918769 0.75 KMO (0.44) KMT2ACASP6RAB9AGRM5
SCHEMBL2687022 0.75 KMT2A (0.50) TRIM24TRIM33KMT2ARAB9AGRM5
SCHEMBL29912141 0.75 KMT2A (0.50) TRIM24TRIM33KMT2ARAB9AGRM5
SCHEMBL24014343 0.75 F2RL1 (0.46) KMT2ACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
US-10131653-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-20 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 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 (3 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885TRIM24 4180/4885TRIM33 4763/4885
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 HCRTR1 15/4885TRIM24 2412/4885TRIM33 3860/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885TRIM24 4180/4885TRIM33 4763/4885

“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.