SCHEMBL21471819

SCHEMBL21471819

Cc1cc2c(c(C(C)C)c1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
OGA O60502 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
SCHEMBL12169539 0.89 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL13054417 0.81 FABP4 (0.39) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL3600857 0.76 UGT2B17 (0.36) HTR2B
SCHEMBL20993841 0.74 PARP1 (0.33)
SCHEMBL23012562 0.73 MAPT (0.35)
SCHEMBL23729378 0.73 ALDH1A1 (0.34) HTR2B
SCHEMBL5535613 0.73 SELL (0.39)
SCHEMBL23647751 0.73 ALDH1A1 (0.31)
SCHEMBL5535609 0.73 MAOB (0.33)
SCHEMBL9910076 0.72 HTR2C (0.39) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-10968213-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 US disclosed
US-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-10-17 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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A HTR2A 2060/4885HTR2C 3062/4885HTR2B 2883/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A HTR2A 2060/4885HTR2C 3062/4885HTR2B 2883/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 HTR2A 3263/4885HTR2C 3099/4885HTR2B 2683/4885

“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.