SCHEMBL4868514

SCHEMBL4868514

Cc1nc(SCCN2CCN(c3cc(Cl)cc4c3OCC(=O)N4)CC2)c(C#N)c(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.41
HTR1D P28221 12/20 0.41
HTR1B P28222 12/20 0.41
SLC6A4 P31645 11/20 0.41
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
KCNH2 Q12809 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 4/20 0.34
POLQ O75417 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL4879035 0.88 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4873983 0.88 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4876472 0.88 MEN1 (0.42) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4868294 0.86 THRB (0.39) HTR1ATHRBTSHRMEN1KMT2A
SCHEMBL4876984 0.84 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4872342 0.82 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4877180 0.81 HTR1A (0.38) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4864840 0.81 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4876785 0.74 ALDH1A1 (0.45) HTR1ATSHRMEN1KMT2APSMD14
SCHEMBL4868483 0.74 ALDH1A1 (0.45) TSHRMEN1KMT2APSMD14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US disclosed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP disclosed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A HTR1A 3/4885HTR1D 13/4885HTR1B 6/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C HTR1A 28/4885HTR1D 56/4885HTR1B 22/4885

“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.