SCHEMBL855070

SCHEMBL855070

CC(N)(Cc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
SLC6A2 P23975 1/20 0.64
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2D6 P10635 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
TACR1 P25103 1/20 0.45
MAPK1 P28482 1/20 0.45
KIF11 P52732 2/20 0.44
KCNN4 O15554 1/20 0.44
TRPA1 O75762 1/20 0.42
PRMT1 Q99873 1/20 0.39

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
Hydrochloric Acid SCHEMBL7266792 0.98 TAAR1 (0.61) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL29037325 0.90 TAAR1 (0.52) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL5308339 0.88 SLC6A2 (0.55) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL152994 0.88 TAAR1 (0.50) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL8866151 0.86 BLM (0.56) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL8867124 0.86 SLC6A2 (0.60) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL28073136 0.86 TAAR1 (0.53) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
SCHEMBL5305664 0.86 SLC6A2 (0.55) TAAR1SLC6A2CYP2D6LMNASMN1; SMN2
SCHEMBL8865764 0.86 SLC6A2 (0.53) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9
Maleic Acid SCHEMBL7267609 0.86 TAAR1 (0.53) TAAR1SLC6A2CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
CN-1200702-C Use of NMDA antagonists for the treatment of irritable bowel syndrome ASTRA ZENECA AG (SE) 2005-05-11 CN claimed
EP-1073430-B1 USE OF NMDA ANTAGONISTS AND/OR SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2004-07-28 EP claimed
EP-1073431-B1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 2004-07-07 EP claimed
CN-1307471-A Use of NMDA antagonists for treatment of irritable bowel syndrome ASTRA ZENECA AG (SE) 2001-08-08 CN claimed
US-6221887-B1 USE OF REMACEMIDE OR A METABOLITE OF REMACEMIDE ASTRAZENECA AB (SE) 2001-04-24 US claimed
EP-1073431-A1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME AstraZeneca AB (SE) 2001-02-07 EP claimed
EP-1073430-A1 USE OF NMDA ANTAGONISTS AND/OR SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AstraZeneca AB (SE) 2001-02-07 EP claimed
WO-1999055322-A9 USE OF NMDA ANTAGONISTS AND/OR SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ASTRAZENECA UK LTD (GB) 2000-07-27 WO claimed
WO-1999055323-A1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 1999-11-04 WO claimed
WO-1999055322-A1 USE OF NMDA ANTAGONISTS AND/OR SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 1999-11-04 WO claimed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
WO-1995031986-A1 COMBINATION PRODUCT OF DICHLOROACETIC ACID AND AN NMDA ANTAGONIST ASTRA AKTIEBOLAG (SE) 1995-11-30 WO claimed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US claimed
US-20250129112-A1 Novel Prodrugs Derived from Nicotinic Acid and Ribose MITOPOWER, INC. 2025-04-24 US disclosed
US-12178827-B2 Nicotinyl riboside compounds and their uses MITOPOWER LLC (US) 2024-12-31 US disclosed
US-12168673-B2 Prodrugs derived from nicotinic acid and ribose MITOPOWER, INC. (US) 2024-12-17 US disclosed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO disclosed
EP-0279937-A1 2-Aminoacetamide derivatives FISONS CORPORATION (US) 1988-08-31 EP disclosed
EP-0278089-A2 2-Azacyclocarboxamide derivatives FISONS CORPORATION (a Massachusetts corporation) (US) 1988-08-17 EP 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 (3 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-20250129112-A1 Novel Prodrugs Derived from Nicotinic Acid and Ribose NME4, NADK, NNT TAAR1 2998/4885SLC6A2 361/4885CYP1A2 1198/4885
US-12168673-B2 Prodrugs derived from nicotinic acid and ribose NNT, NME4, NADK TAAR1 3282/4885SLC6A2 389/4885CYP1A2 857/4885
US-12178827-B2 Nicotinyl riboside compounds and their uses NADK, NNT, NAMPT TAAR1 3435/4885SLC6A2 835/4885CYP1A2 1554/4885

“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.