SCHEMBL20116277

SCHEMBL20116277

Cc1ccc2cnn([C@H]3C[C@@H](O)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 2/20 0.38
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
POLB P06746 1/20 0.34
KHK P50053 4/20 0.34
SCD O00767 2/20 0.33
ELANE P08246 1/20 0.33
CYP11B2 P19099 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL13432160 0.84 KMO (0.43) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL21251097 0.82 PIK3CD (0.43) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL20116278 0.82 CHRM2 (0.43) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL17678157 0.81 KMO (0.41) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL31389731 0.81 TERT (0.37) HTR1AHTR1BHTR1FSCDLRRK2
SCHEMBL22357771 0.81 HSD11B1 (0.41) HTR1AHTR1BHTR1FSCDCYP11B2
SCHEMBL20116574 0.80 PDE1B (0.40) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL20116283 0.80 KHK (0.42) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL20116866 0.80 KMO (0.43) KMOCHRM2CHRM1CHRM3HTR1A
SCHEMBL20117063 0.79 KMO (0.43) KMOCHRM2CHRM1CHRM3HTR1A

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
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMO 1174/4885CHRM2 1129/4885CHRM1 1838/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMO 1174/4885CHRM2 1129/4885CHRM1 1838/4885

“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.