SCHEMBL2758323

SCHEMBL2758323

CN(C)CCc1cn(C)c2cc(C(C)(C)C)ccc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.55
▸ HTR6 P50406 13/20 0.52
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL2758324 0.89 HTR1D (0.70) HTR1DHTR6HTR2AHTR2CHTR2B
SCHEMBL23913563 0.80 HTR1D (0.54) HTR1DHTR2ACYP1A2CYP2C19
SCHEMBL25624145 0.77 HTR6 (0.80) HTR1DHTR6HTR2A
SCHEMBL12850609 0.75 HTR2A (0.65) HTR1DHTR6HTR2AHTR2CHTR2B
SCHEMBL2758321 0.73 HTR6 (0.57) HTR1DHTR6HTR2AHTR2CHTR2B
SCHEMBL26144296 0.73 HTR1D (0.47) HTR1D
SCHEMBL24123873 0.72 HTR1D (0.56) HTR1DCYP1A2CYP2C19KCNH2
SCHEMBL11059665 0.71 HTR1D (0.48) HTR1D
SCHEMBL26662793 0.71 HTR1D (1.00) HTR1DHTR6HTR2AHTR2C
SCHEMBL3348930 0.71 HTR6 (0.66) HTR1DHTR6HTR2AHTR2CHTR2B

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 HTR1D 1356/4885HTR6 599/4885HTR2A 1085/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC HTR1D 2184/4885HTR6 1739/4885HTR2A 2428/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC HTR1D 1356/4885HTR6 599/4885HTR2A 1085/4885

“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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