SCHEMBL2538464

SCHEMBL2538464

CCOC(=O)[C@H]1CC[C@H](c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C19 P33261 1/20 0.49
NPEPPS P55786 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR2 O43614 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL2538466 1.00 ALDH1A1 (0.51) ALDH1A1KDM4ECASP1HSD17B10CYP2C19
SCHEMBL2560479 0.82 CYP2C19 (0.50) ALDH1A1KDM4ECYP2C19KMT2AMEN1
SCHEMBL2560138 0.82 GAA (0.47) ALDH1A1KDM4ECYP2C19KMT2AMEN1
Propionic Acid SCHEMBL29117403 0.82 DRD4 (0.46) ALDH1A1KDM4ECASP1HSD17B10HCRTR2
SCHEMBL2545504 0.81 HTR1A (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2539883 0.81 GAA (0.48) ALDH1A1KDM4ECYP2C19KMT2AMEN1
SCHEMBL2539884 0.81 GAA (0.48) ALDH1A1KDM4ECYP2C19KMT2AMEN1
SCHEMBL2545502 0.81 HTR1A (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2576844 0.80 KMT2A (0.47) ALDH1A1KDM4EHSD17B10CYP2C19KMT2A
SCHEMBL2559270 0.80 KMT2A (0.47) ALDH1A1KDM4EHSD17B10CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
EP-3448389-B1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-09-29 EP disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 US disclosed
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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 (6 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-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB ALDH1A1 3311/4885KDM4E 4559/4885CASP1 447/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB ALDH1A1 3311/4885KDM4E 4559/4885CASP1 447/4885
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB ALDH1A1 3311/4885KDM4E 4559/4885CASP1 447/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB ALDH1A1 3311/4885KDM4E 4559/4885CASP1 447/4885
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR ALDH1A1 682/4885KDM4E 3272/4885CASP1 4515/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB ALDH1A1 3311/4885KDM4E 4559/4885CASP1 447/4885

“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.