SCHEMBL6448175

SCHEMBL6448175

CC1=CCCC1Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.50
HTR3A P46098 1/20 0.50
HRH3 Q9Y5N1 17/20 0.49
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL6449578 0.73 HRH4 (0.42) HRH4HTR3AHRH3CHRM2CHRM4
SCHEMBL18325628 0.67 HRH4 (1.00) HRH4HTR3AHRH3
Immepip SCHEMBL3338054 0.66 HRH3 (1.00) HRH4HTR3AHRH3CHRM2CHRM4
SCHEMBL27387166 0.66 HTR6 (0.50) HRH4HTR3AHRH3
SCHEMBL29524669 0.65
SCHEMBL12895537 0.65 HRH4 (0.65) HRH4HTR3AHRH3CHRM2CHRM4
Immepip SCHEMBL29769900 0.65 HRH3 (1.00) HRH4HTR3AHRH3CHRM2CHRM4
SCHEMBL23944984 0.63
SCHEMBL233717 0.62
SCHEMBL29107353 0.61 HRH4 (0.42) HRH4HTR3AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104407-B1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2004-12-01 EP claimed
EP-1370533-B1 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2015-05-06 EP disclosed
US-6841684-B2 For therapy of chronic pain, glaucoma or elevated intraocular pressure and other diseases with substantially reduced cardiovascular or sedative side effects ALLERGAN, INC. (US) 2005-01-11 US disclosed
EP-1104407-B1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2004-12-01 EP disclosed
EP-1370533-A2 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan, Inc. (US) 2003-12-17 EP disclosed
US-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ALLERGAN SALES, INC. 2003-01-30 US disclosed
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ALLERGAN SALES, INC. 2002-10-24 US disclosed
WO-2002076950-A2 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-10-03 WO disclosed
US-6329369-B1 ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR ALLERGAN SALES, INC. 2001-12-11 US disclosed
EP-1104407-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2001-06-06 EP disclosed
WO-2001000586-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 2001-01-04 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 (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-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ADRA2B, ADRB2, ADRA2C HRH4 540/4885HTR3A 25/4885HRH3 773/4885
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ADRB2, ADRB1, ADRA2B HRH4 76/4885HTR3A 97/4885HRH3 99/4885

“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.