SCHEMBL8316644

SCHEMBL8316644

Cc1[nH]c2ccccc2c1C1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.69
HTR2A P28223 5/20 0.69
KCNH2 Q12809 3/20 0.69
ADRB2 P07550 1/20 0.49
TLR9 Q9NR96 2/20 0.48
TLR8 Q9NR97 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
HTR1A P08908 1/20 0.47
AHR P35869 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HTT P42858 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
SCHEMBL29462 0.90 HTR2A (0.59) HTR2CHTR2AKCNH2ADRB2HTR1A
SCHEMBL8726509 0.85 LMNA (0.51) HTR2CHTR2AKCNH2HTR1AAHR
SCHEMBL7962369 0.82 HTR2A (1.00) HTR2CHTR2AKCNH2
SCHEMBL4077380 0.82 HTR2C (0.51) HTR2CHTR2AKCNH2ADRB2TLR9
SCHEMBL31060925 0.82 HTR2A (1.00) HTR2CHTR2AKCNH2
SCHEMBL18503045 0.81 HTR2A (0.72) HTR2CHTR2AKCNH2AHRGAA
SCHEMBL6640509 0.81 HTR2A (0.47) HTR2CHTR2AKCNH2HTR1AAHR
SCHEMBL31285825 0.80 HTR2A (0.65) HTR2CHTR2AKCNH2ADRB2TLR9
SCHEMBL22588189 0.80 HTR2A (0.65) HTR2CHTR2AKCNH2ADRB2TLR9
Hydrochloric Acid SCHEMBL11099668 0.79 HTR2A (0.63) HTR2CHTR2AKCNH2ADRB2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4100291-A HYPOTENSIVE ROUSSEL UCLAF (FR) 1978-07-11 US claimed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
EP-1777223-A1 Indole derivatives useful as histamine H3 antagonists SCHERING CORPORATION (US) 2007-04-25 EP disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed
US-4100291-A HYPOTENSIVE ROUSSEL UCLAF (FR) 1978-07-11 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 (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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 HTR2C 133/4885HTR2A 511/4885KCNH2 3149/4885

“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.