SCHEMBL2758313

SCHEMBL2758313

COc1ccc2c(c1)c(CCN(C)C)c(C(C)(C)C)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.54
▸ HTR1A P08908 3/20 0.48
▸ HTR1D P28221 3/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ HTR5A P47898 3/20 0.48
▸ HTR1E P28566 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL2758314 0.78 HTR6 (0.45) HTR6HTR1AHTR1DHTR7HTR2A
SCHEMBL20307221 0.70 HTR6 (1.00) HTR6HTR1AHTR1DHTR7HTR1E
SCHEMBL25793332 0.69 HTR6 (0.58) HTR6HTR1AHTR1DHTR7HTR5A
SCHEMBL20307243 0.69 HTR6 (0.88) HTR6HTR1AHTR1DHTR7HTR1E
SCHEMBL3247827 0.69 MTNR1A (0.67) HTR6KDM4EALDH1A1MAPTHPGD
SCHEMBL11047658 0.68 ALDH1A1 (0.81) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5093053 0.68 HTR6 (0.64) HTR6HTR1AHTR1DHTR7HTR5A
SCHEMBL29261913 0.67 HTR6 (0.47) HTR6HTR1AHTR1DHTR7HTR5A
SCHEMBL25330502 0.67 HTR6 (0.73) HTR6HTR1AHTR1DHTR7HTR1E
SCHEMBL29261918 0.67 HTR6 (0.73) HTR6HTR1AHTR1DHTR7HTR1E

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 599/4885HTR1A 1020/4885HTR1D 1356/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC HTR6 1739/4885HTR1A 2651/4885HTR1D 2184/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC HTR6 599/4885HTR1A 1020/4885HTR1D 1356/4885

“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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