SCHEMBL4873836

SCHEMBL4873836

Cc1cc(C)c(C#N)c(SCCCN2CCN(c3cccc4c3OCCO4)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 2/20 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
SCHEMBL4872373 0.87 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHPGDTSHR
SCHEMBL4876721 0.85 ALDH1A1 (0.47) HTR1AALDH1A1LMNAMAPTHPGD
SCHEMBL4876966 0.84 KMT2A (0.51) ALDH1A1LMNAHPGDNPSR1
SCHEMBL4877420 0.81 HTR1A (0.47) HTR1A
SCHEMBL5123484 0.79 GAA (0.45) HTR1AALDH1A1LMNAMAPTHPGD
SCHEMBL4873724 0.77 HTR1A (0.53) HTR1A
SCHEMBL5125861 0.77 DRD2 (0.44) HTR1AALDH1A1LMNAMAPTHPGD
SCHEMBL4876508 0.76 HTR1A (0.46) HTR1ADRD2
SCHEMBL7125422 0.76 DRD2 (0.58) HTR1ADRD2
SCHEMBL7124350 0.76 DRD2 (0.57) HTR1ADRD2

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 7 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
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 3/4885ALDH1A1 584/4885LMNA 3553/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C HTR1A 28/4885ALDH1A1 1001/4885LMNA 3342/4885

“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.