SCHEMBL2846535

SCHEMBL2846535

CCC[C@H](CN)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
EPHX1 P07099 1/20 0.45
CYP2D6 P10635 1/20 0.44
CSNK1E P49674 1/20 0.44
TRPA1 O75762 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL9846054 1.00 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9543263 0.87 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL1047441 0.87 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL8000326 0.85 CSNK1E (0.58) SIGMAR1TAAR1SLC6A2MAOASLC6A4
Hydrochloric Acid SCHEMBL9456845 0.84 CSNK1E (0.56) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL15562967 0.83 SIGMAR1 (0.49) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL4588322 0.83 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2604897 0.83 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL11517810 0.83 EPHX1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL7973781 0.83 HTR2A (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069341-A1 TETRAHYDRO-PYRANOPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-18 US disclosed
US-20070155723-A1 Tetrahydro-pyranopyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 US disclosed
WO-2007001939-A1 TETRAHYDRO-PYRANOPYRAZOLE COMPOUNDS DISPLAYING CANNABINOID MODULATING ACTIVITIES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 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-20070155723-A1 Tetrahydro-pyranopyrazole cannabinoid modulators CNR2, CNR1, GPR18 SIGMAR1 562/4885TAAR1 278/4885SLC6A2 1204/4885
US-20100069341-A1 TETRAHYDRO-PYRANOPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 SIGMAR1 562/4885TAAR1 278/4885SLC6A2 1204/4885

“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.