SCHEMBL4314263

SCHEMBL4314263

CC(=O)Nc1cccc(OCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 3/20 0.60
AHR P35869 1/20 0.59
ALDH1A1 P00352 2/20 0.58
THRB P10828 1/20 0.55
FAAH O00519 1/20 0.53
BRAF P15056 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52

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
SCHEMBL3169131 0.92 KMT2A (0.64) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL11546092 0.92 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4727210 0.89 KMT2A (0.67) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9969534 0.88 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL19732837 0.86 BRAF (0.64) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1996620 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL595283 0.86 THRB (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL24168782 0.85 RAB9A (0.64) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1545948 0.85 KMT2A (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9769453 0.85 THRB (0.67) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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-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-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 (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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A SMN1; SMN2 988/4885NPC1 555/4885RAB9A 1012/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A SMN1; SMN2 997/4885NPC1 599/4885RAB9A 977/4885

“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.