SCHEMBL1713168

SCHEMBL1713168

CCc1ncc(Oc2ccc(CCN)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ MAOB P27338 5/20 0.45
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ HTR2A P28223 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
SCHEMBL6311979 0.78 TAAR1 (0.67) TAAR1MAOBCYP1A2CYP2A6HTR2A
SCHEMBL1713166 0.77 ADRB2 (0.37) —
SCHEMBL26189798 0.77 TAAR1 (0.61) TAAR1MAOBCYP1A2CYP2A6HTR2A
SCHEMBL12967309 0.76 L3MBTL1 (0.42) CYP1A2
Hydrochloric Acid SCHEMBL1713704 0.74 TAAR1 (0.41) TAAR1MAOB
SCHEMBL12788471 0.73 TAAR1 (0.75) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL1049649 0.73 ALDH1A1 (0.64) TAAR1MAOB
SCHEMBL1713688 0.72 KDM4E (0.50) CYP2A6
SCHEMBL1027713 0.71 TAAR1 (0.63) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL28527968 0.71 HTR2A (0.62) TAAR1CYP2A6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232101-A1 Novel Compounds CHAPMAN DAVID (SE) 2012-09-13 — — US disclosed
US-8183251-B2 1-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-{[4-(pyrimidin-5-yloxy)phenyl]methyl}methanesulfonamide; matrix metalloproteinase inhibitors; obstructive airways disease is asthma or chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2012-05-22 — — US disclosed
EP-2097406-B1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS ASTRAZENECA AB (SE) 2011-07-20 — — EP disclosed
US-20080221139-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-11 — — US 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-20080221139-A1 Novel Compounds MMP9, MMP2, MMP1 TAAR1 3478/4885MAOB 219/4885CYP1A2 96/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 TAAR1 3478/4885MAOB 219/4885CYP1A2 96/4885

“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.

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