SCHEMBL6498398

SCHEMBL6498398

Cc1ccc(Br)c(C2(C)OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
POLB P06746 2/20 0.31
THRB P10828 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6493827 0.81 TSHR (0.38) MAPTLMNAHTR2AHTR2CPOLB
SCHEMBL5635402 0.81 KMT2A (0.41) MAPTSMN1; SMN2LMNAKMT2AHDAC1
SCHEMBL12069439 0.81 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNAGAAKMT2A
SCHEMBL16433641 0.79 ALDH1A1 (0.35) MAPTSMN1; SMN2LMNAGAAKMT2A
SCHEMBL1655307 0.79 MAPK1 (0.38) MAPTSMN1; SMN2GAAKMT2AHTR2B
SCHEMBL3213790 0.79 ALDH1A1 (0.32) MAPTSMN1; SMN2GAAKMT2ATDP1
SCHEMBL6290584 0.78 KMT2A (0.38) MAPTSMN1; SMN2LMNAGAAKMT2A
SCHEMBL3203338 0.76 HTR2A (0.35) SMN1; SMN2LMNAGAAKMT2AHTR2A
SCHEMBL6293971 0.72 ALDH1A1 (0.36) MAPTSMN1; SMN2LMNAGAAKMT2A
SCHEMBL11706553 0.72 LMNA (0.31) MAPTSMN1; SMN2LMNAGAAHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 MAPT 3760/4885SMN1; SMN2 1973/4885LMNA 2542/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 MAPT 3760/4885SMN1; SMN2 1973/4885LMNA 2542/4885

“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.