SCHEMBL5482356

SCHEMBL5482356

O=c1[nH]c2cc(Br)ccc2n1C1CCN(C2CCNCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.67
DRD2 P14416 3/20 0.67
OPRM1 P35372 7/20 0.56
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
CHRM3 P20309 2/20 0.54
PLD2 O14939 3/20 0.50
PLD1 Q13393 3/20 0.50
CHRM5 P08912 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL11102829 0.92 OPRM1 (0.57) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL9058735 0.85 CHRM1 (0.63) CHRM1DRD2OPRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL8863368 0.84 CHRM1 (0.61) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL25291004 0.84 OPRM1 (0.61) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL28604447 0.82 OPRM1 (0.60) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL3710702 0.82 CHRM1 (0.78) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL22122308 0.82 OPRM1 (0.59) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL6577930 0.81 CHRM1 (0.59) CHRM1DRD2OPRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL5482985 0.81 CHRM1 (0.76) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL11594936 0.80 CHRM1 (0.57) CHRM1DRD2OPRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
EP-1515722-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 US disclosed
EP-1515722-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-2003105781-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 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 (1 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-20050176765-A1 Ophthalmic compositions for treating ocular hypertension CHRM1, CHRM2, CHRM5 CHRM1 1/4885DRD2 75/4885OPRM1 69/4885

“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.