SCHEMBL9944599

SCHEMBL9944599

CC(C)(C)c1ccnn1O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL2625504 0.73 COMT (0.38) ALDH1A1
SCHEMBL6762492 0.71 DRD1 (0.31)
SCHEMBL1257790 0.71 DGAT1 (0.31)
SCHEMBL2430153 0.71
SCHEMBL19497534 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19696509 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22951256 0.70 CHEK1 (0.34) ALDH1A1
SCHEMBL22678981 0.69 CNR2 (0.43)
SCHEMBL5651059 0.67
SCHEMBL8239368 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2020-11-12 US disclosed
US-10626129-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2020-04-21 US disclosed
CN-107001377-B Pyrazolo [1,5-A] pyrimidine derivatives that there is the piperidines of inhibitory activity to replace the duplication of Respiratory Syncytial Virus(RSV) (RSV) 爱尔兰詹森科学公司 2019-09-10 CN disclosed
US-20190270759-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2019-09-05 US disclosed
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2017-11-30 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose GLYCOMIMETICS, INC. (US) 2016-11-17 US disclosed
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2016-05-19 US disclosed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 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 (11 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-20190270759-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose SELE, SELPLG, SELL ALDH1A1 655/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI ALDH1A1 415/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-10626129-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 751/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI ALDH1A1 415/4885

“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.