SCHEMBL6359587

SCHEMBL6359587

CN(C)CCc1c[nH]c2nc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HTR2B P41595 5/20 0.49
HTR1A P08908 5/20 0.49
HTR6 P50406 5/20 0.48
HTR1D P28221 7/20 0.46
HTR1B P28222 6/20 0.46
SLC6A4 P31645 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR1E P28566 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46
HTR3A P46098 2/20 0.46
HTR5A P47898 2/20 0.46
HTR4 Q13639 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
MPO P05164 1/20 0.44

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 SCHEMBL7023700 0.98 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL25030272 0.82 MPO (0.51) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL7017274 0.81 ADORA2A (0.39) HTR2ASLC6A4
SCHEMBL6364085 0.80 KDM4E (0.50) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL7017267 0.80 ADORA2A (0.39) HTR2AHTR2CSLC6A4
SCHEMBL6359455 0.74 GPR84 (0.63) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL30886870 0.74 GPR84 (0.63) HTR2AHTR2CHTR2BHTR1AHTR6
Hydrochloric Acid SCHEMBL4869205 0.73 GPR84 (0.61) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL7854851 0.71 SLC6A4 (0.83) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL20769706 0.71 ADORA2A (0.43)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
EP-1178045-B1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER (US) 2003-05-28 EP claimed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP claimed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
CN-1568184-A Use of nicotinic acetylcholine receptor agonists for the treatment of restless legs syndrome PFIZER (US) 2005-01-19 CN disclosed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
EP-1178045-B1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER (US) 2003-05-28 EP disclosed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
US-5977131-A Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1999-11-02 US disclosed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 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 (2 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-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 HTR2A 255/4885HTR2C 415/4885HTR2B 179/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 HTR2A 114/4885HTR2C 202/4885HTR2B 108/4885

“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.