SCHEMBL3550306

SCHEMBL3550306

N#CC1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
PIM1 P11309 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL7913606 0.86 PIM1 (0.44) HTR2APIM1ATMCYP2D6KDM4E
SCHEMBL28963564 0.86 HTR2A (0.38) HTR2APIM1ATMCYP2D6KDM4E
SCHEMBL30071558 0.86 HTR2A (0.38) HTR2APIM1ATMCYP2D6KDM4E
SCHEMBL11865850 0.84 HTR2A (0.34) HTR2APIM1ATMKDM4ECHRM2
SCHEMBL7874845 0.82
SCHEMBL13020958 0.82 PIM1 (0.50) PIM1ATMKDM4EHSD17B10MEN1
SCHEMBL11865231 0.80 P2RX4 (0.39) HTR2AATMCYP2D6HTR2CHTR2B
SCHEMBL11873220 0.80 ATM (0.34) HTR2AATMCYP3A4NFKB1HSD17B10
SCHEMBL11871414 0.80 CYP1A2 (0.37) HTR2ACYP2D6KDM4ECYP3A4LMNA
SCHEMBL11857695 0.80 HTR2A (0.34) HTR2APIM1ATMCYP2D6KDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-20020151553-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-17 US disclosed
US-6433165-B1 ANTIINFLAMMATORY AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-6323206-B1 ANTIINFLAMMATORY AGENTS AND VIRICIDES FOR AIDS WITH CYTOKINESAND CHEMOKINES MILLENNIUM PHARMACEUTICALS, INC. 2001-11-27 US disclosed
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0608198-A1 Cyclic diphenylacetonenitriles as stabilisers CIBA-GEIGY AG (CH) 1994-07-27 EP disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed
US-3992445-A ANTICONVULSANTS MERCK & CO., INC. (US) 1976-11-16 US disclosed
US-3988342-A TRANQUILIZERS MERCK & CO., INC. (US) 1976-10-26 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 (5 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-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HTR2A 231/4885PIM1 4557/4885ATM 1638/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HTR2A 259/4885PIM1 4593/4885ATM 1729/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HTR2A 901/4885PIM1 4094/4885ATM 4462/4885
US-20020151553-A1 Chemokine receptor antagonists and methods of use therefor CCR1, CCR2, CCR5 HTR2A 2004/4885PIM1 2852/4885ATM 4444/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HTR2A 901/4885PIM1 4094/4885ATM 4462/4885

“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.