SCHEMBL798068

SCHEMBL798068

CC1CN(Cc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
HRH4 Q9H3N8 1/20 0.58
SIGMAR1 Q99720 5/20 0.50
S1PR4 O95977 3/20 0.49
S1PR1 P21453 3/20 0.49
S1PR5 Q9H228 3/20 0.49
EBP Q15125 1/20 0.47
KCNH2 Q12809 1/20 0.46
S1PR3 Q99500 1/20 0.45
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.44
TEAD1 P28347 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL797735 0.86 SIGMAR1 (0.60) HRH3HRH4SIGMAR1KCNH2HSD11B1
SCHEMBL11099523 0.84 SIGMAR1 (0.68) HRH3HRH4SIGMAR1S1PR4S1PR1
SCHEMBL12198326 0.84 KDM4E (0.59) HRH3HRH4TEAD1KDM4EALDH1A1
SCHEMBL15942967 0.84 S1PR1 (0.51) HRH3HRH4SIGMAR1S1PR4S1PR1
SCHEMBL12449595 0.84 S1PR4 (0.48) HRH3HRH4SIGMAR1S1PR4S1PR1
SCHEMBL22731730 0.84 SIGMAR1 (0.50) HRH3HRH4SIGMAR1S1PR4S1PR1
SCHEMBL798027 0.82 HRH3 (0.69) HRH3SIGMAR1KCNH2TEAD1LMNA
SCHEMBL31612506 0.81 SIGMAR1 (0.51) SIGMAR1S1PR4S1PR1S1PR5KCNH2
SCHEMBL12449596 0.81 LTA4H (0.48) SIGMAR1S1PR4S1PR1S1PR5KCNH2
SCHEMBL6047987 0.80 KCNH2 (0.50) SIGMAR1S1PR4S1PR1S1PR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8530462-B2 Indole modulators of S1P receptors ALLERGAN, INC. (US) 2013-09-10 US disclosed
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-24 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 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 (3 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-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS S1PR1, S1PR3, S1PR2 HRH3 295/4885HRH4 334/4885SIGMAR1 179/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HRH3 2165/4885HRH4 2119/4885SIGMAR1 1380/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 HRH3 196/4885HRH4 252/4885SIGMAR1 501/4885

“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.