SCHEMBL3266840

SCHEMBL3266840

Clc1cncc(OCc2cccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
CCR4 P51679 1/20 0.44
IKBKB O14920 1/20 0.42
SLC6A4 P31645 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
MGMT P16455 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL1134458 0.85 HTR2A (0.43) HTR1ALMNAHTR2AHTR2CHTR2B
SCHEMBL3272705 0.85 CHRNA7 (0.44) HRH1GRM2CYP1A2CYP2D6
SCHEMBL23363262 0.84 HTR1A (0.44) HTR1ADRD2CCR4IKBKBSLC6A4
SCHEMBL29664297 0.84 HTR1A (0.44) HTR1ADRD2CCR4IKBKBSLC6A4
SCHEMBL22792048 0.83 ALDH1A1 (0.49) HTR1ADRD2IKBKBMEN1KMT2A
SCHEMBL22792043 0.81 IKBKB (0.45) HTR1ADRD2IKBKBMEN1KMT2A
SCHEMBL6287266 0.80 HTR2A (0.60) HTR1AHTR2AHTR2CHTR2BCHRM4
SCHEMBL23550090 0.80 GRM5 (0.47) HTR1ADRD2IKBKBSLC6A4MEN1
SCHEMBL3266824 0.79 MAOB (0.47) LMNAMAPTMAPK1CYP1A2
SCHEMBL31080566 0.77 CYP11B1 (0.37) HTR1AMEN1KMT2AALDH1A1MAPT

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
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR1A 611/4885DRD2 343/4885CCR4 1796/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR1A 611/4885DRD2 343/4885CCR4 1796/4885

“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.