SCHEMBL13503985

SCHEMBL13503985

CC(C)C1CCC(Cc2ccccc2)(OCCCN(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AQP3 Q92482 1/20 0.47
▸ AQP1 P29972 1/20 0.46
▸ HRH1 P35367 2/20 0.39
▸ OPRL1 P41146 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GUCY1B2 O75343 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36

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
SCHEMBL13504042 0.93 AQP3 (0.55) AQP3AQP1HRH1OPRL1SCN1A
SCHEMBL13681480 0.86 AQP3 (0.50) AQP3AQP1HRH1SCN1ASCN2A
SCHEMBL14409639 0.84 AQP3 (0.48) AQP3AQP1HRH1SCN1ASCN2A
Bencyclane SCHEMBL64881 0.82 AQP3 (0.44) AQP3AQP1HRH1SIGMAR1CHRM2
SCHEMBL13503691 0.77 GRIN2B (0.40) OPRL1OPRM1
SCHEMBL13503661 0.77 LTA4H (0.40) HRH1SIGMAR1HRH3CYP2D6DRD1
SCHEMBL11666639 0.76 AQP1 (0.43) AQP3AQP1HRH1SCN1ASCN2A
SCHEMBL13503692 0.74 OPRM1 (0.45) OPRL1SIGMAR1KDM4ECYP1A2CYP2D6
Bencyclane SCHEMBL220903 0.74 HRH1 (0.52) AQP3AQP1HRH1CHRM2CHRM1
Bencyclane SCHEMBL1568812 0.74 HRH1 (0.52) AQP3AQP1HRH1CHRM2CHRM1

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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 — — US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 — — US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 — — US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 — — US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 — — US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 — — US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 — — US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 — — 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD AQP3 4497/4885AQP1 4565/4885HRH1 4340/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD AQP3 4808/4885AQP1 4804/4885HRH1 4187/4885

“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.

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