SCHEMBL600079

SCHEMBL600079

CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.53
▸ ACHE P22303 1/20 0.51
▸ ACE P12821 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL10122048 1.00 CYP19A1 (0.53) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL600078 1.00 CYP19A1 (0.53) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL5880416 0.85 ACE (0.67) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL29666098 0.85 ACE (0.67) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL677552 0.85 ACE (0.67) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL26312410 0.85 CYP19A1 (0.57) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL8243497 0.85 ACE (0.67) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL16265990 0.84 CYP19A1 (0.56) CYP19A1ACHEACEMEN1KMT2A
SCHEMBL24380346 0.83 CYP19A1 (0.72) CYP19A1
SCHEMBL16750308 0.83 CYP19A1 (0.72) CYP19A1

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-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 — — US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 — — US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 — — US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 — — US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 — — 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-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CYP19A1 1771/4885ACHE 875/4885ACE 4079/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CYP19A1 1771/4885ACHE 875/4885ACE 4079/4885

“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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