SCHEMBL4406284

SCHEMBL4406284

Cc1ccc2c(C(C)N)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
NR4A2 P43354 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
FFAR1 O14842 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
NR3C1 P04150 1/20 0.39
IDO1 P14902 1/20 0.39
HTR1D P28221 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
KIF11 P52732 1/20 0.38
SOS1 Q07889 1/20 0.38
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL12824182 0.85 HTR2A (0.49) HTR2ANR4A2MEN1KMT2AHTR2C
SCHEMBL24912884 0.82 HTR2A (0.46) HTR2ANR4A2MEN1KMT2AHTR2C
SCHEMBL15074677 0.79 HTR2A (0.47) HTR2ANR4A2MEN1KMT2AHTR2C
SCHEMBL22417629 0.79 HTR2A (0.47) HTR2ANR4A2MEN1KMT2AHTR2C
SCHEMBL18135248 0.79 NR4A2 (0.46) HTR2ANR4A2MEN1KMT2ANR3C1
SCHEMBL20555950 0.79 NR4A2 (0.46) HTR2ANR4A2MEN1KMT2ANR3C1
SCHEMBL18135250 0.79 NR4A2 (0.46) HTR2ANR4A2MEN1KMT2ANR3C1
SCHEMBL3192923 0.77 GFER (0.43) HTR2ANR4A2MEN1KMT2AHTR2C
SCHEMBL24913225 0.76 HTR2A (0.66) HTR2AHTR2CHTR2BNR3C1HTR1D
SCHEMBL8409476 0.76 HTR2A (0.47) HTR2ANR4A2MEN1KMT2AHTR2C

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
EP-1608352-B1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2009-12-30 EP disclosed
US-7504422-B2 Polyamine compounds TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2009-03-17 US disclosed
US-7399776-B2 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2008-07-15 US disclosed
US-20080058382-A1 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-03-06 US disclosed
WO-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed
EP-1608352-A4 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2007-11-28 EP disclosed
EP-1608352-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES Taigen Biotechnology (TW) 2005-12-28 EP disclosed
US-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2005-02-24 US disclosed
WO-2004089360-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY (TW) 2004-10-21 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 (2 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-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases CCL2, CCR2, CCR5 HTR2A 1989/4885NR4A2 1229/4885MEN1 2115/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX HTR2A 1780/4885NR4A2 3533/4885MEN1 762/4885

“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.