SCHEMBL360084

SCHEMBL360084

CCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.77
CCR3 P51677 3/20 0.73
PRMT6 Q96LA8 3/20 0.71
CARM1 Q86X55 2/20 0.71
PRMT3 O60678 1/20 0.71
PRMT1 Q99873 1/20 0.71
PRMT8 Q9NR22 1/20 0.71
SIGMAR1 Q99720 3/20 0.67
TMEM97 Q5BJF2 2/20 0.63
GRIN2B Q13224 1/20 0.63
ALDH1A1 P00352 1/20 0.62
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61

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 SCHEMBL3333462 0.92 KCNH2 (0.68) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL153896 0.90 KCNH2 (0.88) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL349032 0.89 KCNH2 (0.97) KCNH2CCR3PRMT6CARM1PRMT3
Hydrochloric Acid SCHEMBL7321952 0.87 KCNH2 (0.94) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL867837 0.87 KCNH2 (1.00) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL12040797 0.87 KCNH2 (1.00) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL27572298 0.86 KCNH2 (0.60) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL7698046 0.86 CCR3 (0.71) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL12041264 0.85 KCNH2 (0.81) KCNH2CCR3PRMT6CARM1PRMT3
SCHEMBL27016353 0.85 PRMT6 (0.82) KCNH2CCR3PRMT6CARM1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
WO-2021241876-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US disclosed
WO-2007024717-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 WO disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 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 (6 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-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors RYR1, RYR2, ATP2A1 KCNH2 165/4885CCR3 1774/4885PRMT6 3334/4885
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 KCNH2 315/4885CCR3 3346/4885PRMT6 2266/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 KCNH2 1547/4885CCR3 57/4885PRMT6 231/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KCNH2 1165/4885CCR3 283/4885PRMT6 3003/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT KCNH2 3760/4885CCR3 3078/4885PRMT6 338/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB KCNH2 2248/4885CCR3 4856/4885PRMT6 1563/4885

“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.