SCHEMBL8064955

SCHEMBL8064955

CCOc1ccc2c(c1)[C@@H]1CNC[C@@H]1OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA2 P00918 1/20 0.35
CA12 O43570 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTR2C P28335 2/20 0.34
RAD52 P43351 1/20 0.34

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
Hydrochloric Acid SCHEMBL3024813 0.99 CHRNB2 (0.43) CHRNB2CHRNA4NQO2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3024818 0.99 CHRNB2 (0.43) CHRNB2CHRNA4NQO2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3024816 0.99 CHRNB2 (0.43) CHRNB2CHRNA4NQO2MTNR1AMTNR1B
SCHEMBL8065390 0.87 CHRNB2 (0.32) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL8071167 0.85 HTR2C (0.47) CHRNB2CHRNA4HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL3020541 0.84 HTR2C (0.46) CHRNB2CHRNA4HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL3020538 0.84 HTR2C (0.46) CHRNB2CHRNA4HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL3020536 0.84 HTR2C (0.46) CHRNB2CHRNA4HTR2CSLC6A4HTR2A
SCHEMBL3024735 0.83 MAOB (0.46) MAOAMAOBCA2CA5A
SCHEMBL3024728 0.83 MAOB (0.46) MAOAMAOBCA2CA5A

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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 CHRNB2 265/4885CHRNA4 131/4885NQO2 540/4885

“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.