SCHEMBL6870366

SCHEMBL6870366

Brc1ccccc1CCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
TAAR1 Q96RJ0 4/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
IDO1 P14902 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PARP10 Q53GL7 1/20 0.42
HTR1B P28222 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL15080038 0.87 CYP1A2 (0.49) TAAR1SIRT2FFAR1FFAR4IDO1
SCHEMBL1259945 0.79 PARP10 (0.62) KCNA3TAAR1ALDH1A1FFAR1FFAR4
SCHEMBL14328006 0.79 DRD2 (0.52) ALDH1A1DRD2DRD4DRD3GAA
SCHEMBL9331124 0.79 TAAR1 (0.58) TAAR1SIRT2ALDH1A1FFAR1FFAR4
SCHEMBL9854724 0.76 KCNA3 (0.52) KCNA3TAAR1ALDH1A1RECQLIDO1
SCHEMBL11705264 0.76 HRH1 (0.56) KCNA3TAAR1ALDH1A1RECQLFFAR1
SCHEMBL18919802 0.76 KCNA3 (0.52) KCNA3TAAR1ALDH1A1RECQLNPC1
SCHEMBL12687834 0.76 HDAC6 (0.59) SIRT2ALDH1A1FFAR1FFAR4PARP10
SCHEMBL28451246 0.75 TAAR1 (0.54) TAAR1SIRT2ALDH1A1FFAR1FFAR4
SCHEMBL31245544 0.75 TAAR1 (0.54) TAAR1SIRT2ALDH1A1IDO1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806283-B2 SUCH AS SPIRO(9,10-DIHYDROANTHRACENE)-9,3'-PYRROLIDINE; FOR USE AS ANTIDEPRESSANT AND ANTIANXIETY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2004-10-19 US disclosed
US-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 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 (1 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-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof HTR2A, HTR7, HTR1A KCNA3 2697/4885TAAR1 87/4885SIRT2 452/4885

“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.