Sugi Predict

Sugi Predict / Compounds / SCHEMBL491716

SCHEMBL491716

SCHEMBL491716

NCC1(O)CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C19 P33261 2/20 0.34
▸ SLC6A3 Q01959 4/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ SLC6A2 P23975 2/20 0.30

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
SCHEMBL56742 1.00 — —
SCHEMBL3043105 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL30087352 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL17288070 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL12483735 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL491971 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL8788527 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL57599 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL944236 0.97 — —
Hydrochloric Acid SCHEMBL3074729 0.94 USP2 (0.38) TSHRUSP2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 — — CN claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 — — US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 — — EP claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 — — US claimed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 — — EP claimed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 — — WO claimed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 — — EP claimed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — WO claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 — — US claimed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 — — US disclosed
CN-112047848-B Dopamine D 2 Receptor selective agonists and uses thereof 中国科学院分子细胞科学卓越创新中心 2023-05-02 — — CN disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 — — EP disclosed
CN-111808056-B Dopamine D 2 Receptor selective agonists and their use in the treatment of disease 中国科学院分子细胞科学卓越创新中心 2022-08-23 — — CN disclosed
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 — — EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 — — US disclosed
WO-2004099146-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-11-18 — — WO disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 — — WO disclosed
US-4017539-A Biguanide compounds and anti-diabetic compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-04-12 — — 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 (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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 TSHR 4109/4885USP2 2160/4885ALDH1A1 2835/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885USP2 4733/4885ALDH1A1 3640/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 TSHR 327/4885USP2 4164/4885ALDH1A1 2019/4885
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3650/4885USP2 4651/4885ALDH1A1 3335/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 TSHR 412/4885USP2 4155/4885ALDH1A1 365/4885

“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.