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SCHEMBL4877180

SCHEMBL4877180

N#Cc1cc(Cl)cnc1SCCN1CCN(c2cc(Cl)cc3c2OCC(=O)N3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.38
▸ HTR1D P28221 7/20 0.38
▸ HTR1B P28222 7/20 0.38
▸ SLC6A4 P31645 7/20 0.38
▸ DRD2 P14416 10/20 0.36
▸ ADRA1B P35368 2/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2A P28223 5/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ DRD4 P21917 4/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ DRD1 P21728 1/20 0.33

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
SCHEMBL4872342 0.88 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4864840 0.86 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4876984 0.86 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4867628 0.84 DRD2 (0.35) HTR1ADRD2ADRA1BADRA1AHTR2A
SCHEMBL4879035 0.82 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4876472 0.82 MEN1 (0.42) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4873983 0.82 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4868514 0.81 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4873454 0.73 DRD2 (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4948677 0.73 DRD2 (0.47) HTR1AHTR1DHTR1BSLC6A4DRD2

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 8 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

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.