SCHEMBL449588

SCHEMBL449588

[c]1[c]c2ccccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
CYP2A6 P11509 1/20 0.32
ALOX12 P18054 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
SCHEMBL10690594 0.71 ALDH1A1 (0.33) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL1395705 0.60
SCHEMBL9324824 0.60 CYP2A6 (0.35) CYP2A6ALOX12
SCHEMBL132970 0.60 CYP2A6 (0.35) CYP2A6ALOX12
SCHEMBL9196 0.60 MAPT (0.36) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL23499930 0.56 NPC1 (0.39) CYP2A6
SCHEMBL24252 0.55 CYP2A6 (0.41) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL184780 0.55 ALDH1A1 (0.32) ALDH1A1CYP2A6ALOX12
Phthalazine SCHEMBL22439995 0.55 CYP2A6 (0.50) ALDH1A1GLAMAPTHPGDACHE
Phthalazine SCHEMBL29356700 0.55 CYP2A6 (0.50) ALDH1A1GLAMAPTHPGDACHE

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 EP disclosed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-20090018264-A1 RESIN COMPOSITION CANON KABUSHIKI KAISHA (JP) 2009-01-15 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 CN disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed
EP-1173427-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-01-23 EP disclosed
WO-2000063197-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-10-26 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 (5 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 ALDH1A1 1108/4885GLA 3878/4885MAPT 1670/4885
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 ALDH1A1 1768/4885GLA 3365/4885MAPT 4760/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 ALDH1A1 2079/4885GLA 2994/4885MAPT 4603/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ALDH1A1 2257/4885GLA 4642/4885MAPT 4728/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ALDH1A1 2082/4885GLA 3172/4885MAPT 4767/4885

“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.