SCHEMBL4315060

SCHEMBL4315060

CSc1ncccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 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
SCHEMBL21725476 0.80 GRM5 (0.46) PDE5AL3MBTL1TSHRCASP3SENP8
SCHEMBL4307757 0.77 CHRNB2 (0.46) PDE5ASLC6A2ALDH1A1IDO1RECQL
SCHEMBL31439216 0.76 LMNA (0.48) PDE5AL3MBTL1TSHRCASP3SENP8
SCHEMBL7053155 0.76 LMNA (0.48) PDE5AL3MBTL1TSHRCASP3SENP8
SCHEMBL4318642 0.74 CHRNB4 (0.48) PDE5AL3MBTL1RAB9ATDP1SLC6A2
SCHEMBL4314586 0.73 ALDH1A1 (0.45) L3MBTL1TSHRRAB9ATDP1SLC6A2
SCHEMBL4318688 0.73 PDE5A (0.46) PDE5ATSHRRAB9ATDP1SLC6A2
SCHEMBL91148 0.73 S1PR4 (0.55) PDE5ARAB9ASLC6A2SMN1; SMN2ALDH1A1
SCHEMBL236730 0.72 SLC6A2 (0.47) PDE5AL3MBTL1TSHRSLC6A2SMN1; SMN2
SCHEMBL7695682 0.71 KMT2A (0.45) L3MBTL1TSHRCASP3SENP8SENP7

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
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 — — US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 — — US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 — — EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 — — US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 — — US disclosed
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 — — US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 — — US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 — — EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 — — 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 (3 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A PDE5A 1052/4885L3MBTL1 2883/4885TSHR 457/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A PDE5A 929/4885L3MBTL1 3082/4885TSHR 531/4885
US-20030073862-A1 Compounds PPARG, PPARA, PPARD PDE5A 1661/4885L3MBTL1 3026/4885TSHR 477/4885

“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.

Send feedback