SCHEMBL2758320

SCHEMBL2758320

COc1ccc2c(c(CCN(C)C)cn2C)c1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.51
▸ HTR2C P28335 6/20 0.50
▸ HTR2B P41595 5/20 0.50
▸ HTR2A P28223 5/20 0.50
▸ HTR1D P28221 1/20 0.46
▸ NQO2 P16083 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ HTR1A P08908 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
SCHEMBL12558826 0.79 HTR2C (0.69) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL13592835 0.76 HTR6 (0.53) HTR6HTR2CHTR2BHTR2AHTR1D
Hydrochloric Acid SCHEMBL3790913 0.75 HTR6 (0.52) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL3804057 0.74 HTR1A (0.46) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL2758319 0.73 HTR2C (0.66) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL12558970 0.72 HTR6 (0.45) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL2758321 0.72 HTR6 (0.57) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL3804932 0.71 HTR2C (0.63) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL16286341 0.71 HTR6 (0.44) HTR6HTR2CHTR2BHTR2AHTR1D
SCHEMBL13592775 0.71 HTR6 (0.50) HTR6HTR2CHTR2BHTR2AHTR1D

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-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 — — US disclosed
US-8546578-B2 Iodonium Cyclophanes for SECURE arene functionalization NUTECH VENTURES (US) 2013-10-01 — — US disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 — — US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 — — US disclosed
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 — — 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 (3 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC HTR6 599/4885HTR2C 460/4885HTR2B 1066/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC HTR6 1739/4885HTR2C 829/4885HTR2B 1501/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC HTR6 599/4885HTR2C 460/4885HTR2B 1066/4885

“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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