Sugi Predict

Sugi Predict / Compounds / SCHEMBL5351012

SCHEMBL5351012

SCHEMBL5351012

NCC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ TPSAB1 Q15661 2/20 0.59
▸ TPSD1 Q9BZJ3 2/20 0.59
▸ TPSG1 Q9NRR2 2/20 0.59
▸ GRIN2B Q13224 9/20 0.57
▸ CYP2D6 P10635 4/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ HTT P42858 1/20 0.51
▸ FAAH O00519 1/20 0.49
▸ TACR3 P29371 1/20 0.49

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
SCHEMBL736958 0.92 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
SCHEMBL618588 0.92 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
Hydrochloric Acid SCHEMBL23301123 0.90 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
SCHEMBL21681858 0.90 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
SCHEMBL3652558 0.90 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
Ammonia Solution, Strong SCHEMBL21723132 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1
SCHEMBL100555 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL3444915 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL541346 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL17453711 0.87 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9ATPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
US-9771374-B2 Benzimidazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-09-26 — — US disclosed
US-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-07-06 — — US disclosed
EP-3172197-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 — — EP disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 — — US disclosed
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 — — US disclosed
WO-2016014918-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV 17 LLC (US) 2016-01-28 — — WO disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 — — US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 — — US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 — — US disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 — — EP disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 — — US disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 — — WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 — — US disclosed
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 — — EP disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 — — WO disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 — — WO disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 — — EP disclosed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 — — US disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 — — 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-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG SMN1; SMN2 806/4885CYP2C19 652/4885NPC1 1059/4885
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 SMN1; SMN2 1963/4885CYP2C19 375/4885NPC1 1836/4885
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG SMN1; SMN2 806/4885CYP2C19 652/4885NPC1 1059/4885
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A SMN1; SMN2 465/4885CYP2C19 2019/4885NPC1 1441/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A SMN1; SMN2 505/4885CYP2C19 2189/4885NPC1 1808/4885

“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.