SCHEMBL4023501

SCHEMBL4023501

Nc1ccc(Cl)c(OCCN2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
HTR2C P28335 4/20 0.54
LTA4H P09960 3/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL4366088 0.98 TSHR (0.61) TSHRHTR2CLTA4HPTGS1PTGS2
SCHEMBL19462258 0.91 CYP2D6 (0.58) TSHRHTR2CLTA4HPTGS1PTGS2
SCHEMBL14233388 0.88 TSHR (0.64) TSHRHTR2CLTA4HPTGS1PTGS2
SCHEMBL1024536 0.87 TSHR (0.61) TSHRHTR2CLTA4HPTGS1PTGS2
SCHEMBL14937929 0.86 TSHR (0.75) TSHRHTR2CCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1641395 0.85 LTA4H (0.60) TSHRHTR2CLTA4HPTGS1PTGS2
SCHEMBL13946680 0.85 LTA4H (0.55) TSHRLTA4HPTGS1PTGS2CYP1A2
SCHEMBL1929134 0.82 LTA4H (0.52) TSHRLTA4HPTGS1PTGS2KDM4E
SCHEMBL4267515 0.81 LTA4H (0.61) HTR2CLTA4HPTGS1PTGS2KDM4E
SCHEMBL31378713 0.81 LTA4H (0.61) HTR2CLTA4HPTGS1PTGS2KDM4E

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
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
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 TSHR 88/4885HTR2C 2/4885LTA4H 1141/4885

“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.