SCHEMBL738162

SCHEMBL738162

NCCc1c[nH]c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.69
MET P08581 1/20 0.59
MTNR1A P48039 1/20 0.58
HTR2A P28223 3/20 0.54
HTR6 P50406 2/20 0.54
MPO P05164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
CTSK P43235 1/20 0.54
CYP2A13 Q16696 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
PMP22 Q01453 1/20 0.53
AXL P30530 1/20 0.51

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
SCHEMBL31036176 1.00 GPR84 (0.69) GPR84METMTNR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL21546025 0.98 GPR84 (0.67) GPR84METMTNR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL31534068 0.98 GPR84 (0.67) GPR84METMTNR1AHTR2AHTR6
SCHEMBL12280756 0.89 GPR84 (0.63) GPR84METMTNR1AMPOAXL
SCHEMBL12280803 0.87 GPR84 (0.61) GPR84METMTNR1AMPOAXL
SCHEMBL1836680 0.86 GPR84 (0.73) GPR84METMTNR1AHTR2AHTR6
SCHEMBL7010590 0.86 GPR84 (0.73) GPR84METMTNR1AAXLCCNE1
SCHEMBL857248 0.83 GPR84 (0.59) GPR84METMTNR1AHTR2AHTR6
SCHEMBL7504761 0.83 GPR84 (0.69) GPR84METMTNR1AHTR6CYP1A2
SCHEMBL857145 0.83 GPR84 (0.69) GPR84METMTNR1AHTR2AHTR6

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 92 patents — showing the first 20. 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-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 EP claimed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
WO-2019156989-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AhR IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 EP disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
WO-2003053970-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 WO disclosed
EP-0870768-B1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER (US) 2002-05-15 EP disclosed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 WO disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 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
US-5714495-A ANXIOLYTIC AGENTS, MELATONIN RECEPTORS FOR TREATING PSYCHOLOGICAL DISORDERS AND ANALGESICS, SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-02-03 US disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 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-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 GPR84 136/4885MET 4097/4885MTNR1A 57/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 GPR84 1582/4885MET 4601/4885MTNR1A 2163/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 GPR84 72/4885MET 3799/4885MTNR1A 79/4885

“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.