SCHEMBL4027655

SCHEMBL4027655

COc1ccc(C(N)=O)cc1OCCN1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
MAPK1 P28482 1/20 0.49
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.47
SLC5A7 Q9GZV3 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MCHR1 Q99705 3/20 0.43
HTR1A P08908 1/20 0.43
SLC29A1 Q99808 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6200574 0.87 MEN1 (0.55) HTR2CMAPK1DRD3DRD2SLC5A7
SCHEMBL4023275 0.85 MEN1 (0.57) HTR2CMAPK1DRD3SLC5A7MEN1
SCHEMBL4027659 0.83 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL3841383 0.83 MAPK1 (0.60) MAPK1DRD3DRD2MEN1KMT2A
SCHEMBL4022248 0.82 HTR2C (0.54) HTR2CMEN1KMT2AKDM4EALDH1A1
SCHEMBL4267510 0.82 MCHR1 (0.60) MAPK1DRD3SLC5A7MEN1KMT2A
SCHEMBL4267324 0.80 CYP2D6 (0.60) HTR2CMAPK1DRD3SLC5A7KDM4E
SCHEMBL4032026 0.78 HTR2C (0.48) HTR2CKDM4EMCHR1HTR2AHTR2B
SCHEMBL4270714 0.76 MAPK1 (0.58) MAPK1KDM4EALDH1A1MCHR1HPGD
SCHEMBL6306251 0.74 LTA4H (0.55) HTR2CDRD3DRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C HTR2C 2/4885MAPK1 2841/4885DRD3 134/4885

“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.