SCHEMBL12478488

SCHEMBL12478488

C[CH]c1c[nH]c2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.56
HTR2C P28335 9/20 0.55
CHRNA7 P36544 1/20 0.52
HTR1D P28221 5/20 0.48
HTR2A P28223 4/20 0.47
CYP2D6 P10635 3/20 0.47
HTR2B P41595 3/20 0.47
CYP2C9 P11712 3/20 0.47
HTR1B P28222 2/20 0.47
CYP1A2 P05177 2/20 0.47
NFKB1 P19838 2/20 0.47
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL337458 0.81 ALDH1A1 (0.58) HTR1AHTR2CCHRNA7HTR1DHTR2A
SCHEMBL3741787 0.78 KMT2A (0.56) HTR1AHTR2CHTR1DHTR2AHTR2B
SCHEMBL6855717 0.75 ALDH1A1 (0.73) HTR1AHTR2CHTR1DHTR2ACYP2D6
SCHEMBL664847 0.75 HTR2C (0.53) HTR1AHTR2CHTR1DHTR2ACYP2D6
SCHEMBL5259883 0.74 HTR2C (0.56) HTR1AHTR2CCHRNA7HTR1DHTR2A
SCHEMBL30686491 0.74 HTR2C (0.56) HTR1AHTR2CCHRNA7HTR1DHTR2A
SCHEMBL5435851 0.74 HTR2C (0.56) HTR1AHTR2CHTR1DHTR2ACYP2D6
SCHEMBL1462326 0.73 HTR1A (0.55) HTR1AHTR2CCHRNA7HTR1DHTR2A
SCHEMBL1462328 0.73 HTR1A (0.55) HTR1AHTR2CCHRNA7HTR1DHTR2A
SCHEMBL9732710 0.73 ALDH1A1 (0.56) HTR1AHTR2CCHRNA7HTR1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495372-B1 BORONATED DERIVATIVES FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED TO OXIDATIVE STRESS UNIV DEGLI STUDI G DANNUNZIO CHIETI PESCARA (IT) 2021-04-07 EP claimed
EP-3495372-A1 BORONATED DERIVATIVES FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED TO OXIDATIVE STRESS Universita' Degli Studi G. D Annunzio Chieti - Pescara (IT) 2019-06-12 EP claimed
US-8871718-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-28 US claimed
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-25 US claimed
EP-3495372-B1 BORONATED DERIVATIVES FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED TO OXIDATIVE STRESS UNIV DEGLI STUDI G DANNUNZIO CHIETI PESCARA (IT) 2021-04-07 EP disclosed
EP-3495372-A1 BORONATED DERIVATIVES FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED TO OXIDATIVE STRESS Universita' Degli Studi G. D Annunzio Chieti - Pescara (IT) 2019-06-12 EP disclosed
EP-2678318-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2014-01-01 EP disclosed
WO-2012116279-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2012-08-30 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-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 HTR1A 3595/4885HTR2C 4128/4885CHRNA7 4772/4885

“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.