SCHEMBL2565282

SCHEMBL2565282

N#Cc1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.61
HCAR1 Q9BXC0 1/20 0.53
MRGPRX4 Q96LA9 4/20 0.50
GPR35 Q9HC97 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
TTR P02766 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
VNN1 O95497 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACLY P53396 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
SCHEMBL2170685 0.85 MRGPRX4 (0.49) TPMTMRGPRX4GPR35ALOX15TSHR
SCHEMBL2511327 0.85 MRGPRX4 (0.45) TPMTMRGPRX4GPR35ALOX15TSHR
SCHEMBL5223887 0.84 VNN1 (0.40) TPMTHCAR1MRGPRX4GPR35VNN1
SCHEMBL16953692 0.82 MAPT (0.45) TPMTMRGPRX4GPR35TTRVNN1
SCHEMBL24156534 0.82 PARP1 (0.46) TPMTMRGPRX4GPR35VNN1TSHR
SCHEMBL10412427 0.80 TPMT (0.61) TPMTHCAR1MRGPRX4GPR35HCAR2
SCHEMBL2071745 0.79 GSK3B (0.40) TPMTMRGPRX4GPR35VNN1TSHR
SCHEMBL3488915 0.78 ALDH1A1 (0.46) MRGPRX4GPR35VNN1
SCHEMBL9821033 0.78 GSK3B (0.39) TPMTMRGPRX4GPR35VNN1TSHR
SCHEMBL31207998 0.78 ALDH1A1 (0.46) MRGPRX4GPR35VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-09-15 US disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 CN disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 WO disclosed
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 CN disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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 (4 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 TPMT 1471/4885HCAR1 65/4885MRGPRX4 297/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 TPMT 1471/4885HCAR1 65/4885MRGPRX4 297/4885
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR TPMT 22/4885HCAR1 1326/4885MRGPRX4 1814/4885
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 TPMT 814/4885HCAR1 26/4885MRGPRX4 876/4885

“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.