SCHEMBL601531

SCHEMBL601531

CCCCCn1c2c(c3ccccc31)CC(C)(C(=O)N1CCCCC1)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.48
▸ CNR1 P21554 2/20 0.44
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL602505 1.00 CNR2 (0.48) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL601532 1.00 CNR2 (0.48) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL10122044 0.80 CNR2 (0.49) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL10122052 0.80 CNR2 (0.49) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL600901 0.73 TRPV1 (0.43) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL600902 0.73 TRPV1 (0.43) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL10122059 0.72 CNR2 (0.51) CNR2CNR1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL600156 0.72 CNR2 (0.50) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL16742464 0.71 HDAC6 (0.48) HDAC1HDAC6
SCHEMBL16742468 0.69 HDAC6 (0.49) HDAC1HDAC6

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 2 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-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 CNR2 2/4885CNR1 1/4885PSEN1 764/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885PSEN1 764/4885

“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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