SCHEMBL6840540

SCHEMBL6840540

CC1CN(c2ccc3[nH]ccc3c2)CC(C)N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
CHRNA7 P36544 5/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR7 P34969 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL6790733 0.89 GHSR (0.43) KCNH2CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL17304840 0.78 KCNH2 (0.43) KCNH2CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL15515677 0.78 KCNH2 (0.48) KCNH2CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL20157447 0.77 MAPT (0.45) KCNH2CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL949366 0.76 HTR3A (0.56) HTR7GAAMAPK14
SCHEMBL3340549 0.74 LTA4H (0.48) SLC6A2SLC6A4SLC6A3HTR7AHR
SCHEMBL4304437 0.73 KDM4E (0.49) HTR7GABRPGABRDGABRA1GABRB1
SCHEMBL3719392 0.72 HTR7 (0.47) SLC6A2SLC6A4SLC6A3HTR7AHR
SCHEMBL17542571 0.72 MAPT (0.44) AHRCYP2A6GAA
SCHEMBL6783725 0.71 TGFBR1 (0.38) KCNH2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 US disclosed
EP-1368344-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074768-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2002-09-26 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-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 KCNH2 467/4885CHRNA7 18/4885SLC6A2 78/4885

“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.