SCHEMBL22030904

SCHEMBL22030904

C[C@H]1CCCN(C2CCN(C(=O)CC(C)(C)C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 15/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL24244801 0.84 MEN1 (0.48) ADRA1AALDH1A1LMNAMEN1KMT2A
SCHEMBL11890311 0.82 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL22891321 0.81 DPP4 (0.41) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL26148290 0.81 DPP4 (0.41) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19652192 0.81 ADRA1A (0.47) ADRA1AALDH1A1LMNA
SCHEMBL19658401 0.79 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL31482179 0.79 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL20692579 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL9921669 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL9921671 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20200165260-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2020-05-28 — — 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 (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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 ADRA1A 4846/4885ALDH1A1 1102/4885LMNA 4129/4885
US-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 ADRA1A 27/4885ALDH1A1 2796/4885LMNA 3918/4885

“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.

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