SCHEMBL3304331

SCHEMBL3304331

CC(N)(CO)CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CETP P11597 2/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
CHEK2 O96017 1/20 0.37
LTA4H P09960 1/20 0.37
FAAH O00519 2/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RAB9A P51151 1/20 0.36
MAP2K1 Q02750 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL3304322 1.00 S1PR1 (0.41) S1PR1TLR8TLR7HTR2ASLC6A4
Hydrochloric Acid SCHEMBL3308618 0.99 S1PR1 (0.41) S1PR1TLR8TLR7HTR2ASLC6A4
Hydrochloric Acid SCHEMBL3308627 0.99 S1PR1 (0.41) S1PR1TLR8TLR7HTR2ASLC6A4
SCHEMBL3304687 0.94 S1PR1 (0.42) S1PR1TLR8TLR7HTR2ASLC6A4
SCHEMBL3304680 0.94 S1PR1 (0.42) S1PR1TLR8TLR7HTR2ASLC6A4
Hydrochloric Acid SCHEMBL3304348 0.94 S1PR1 (0.42) S1PR1TLR8TLR7HTR2ASLC6A4
Hydrochloric Acid SCHEMBL3304353 0.94 S1PR1 (0.42) S1PR1TLR8TLR7HTR2ASLC6A4
SCHEMBL3120483 0.90 S1PR1 (0.45) S1PR1TLR8TLR7HTR2ASLC6A4
SCHEMBL13259332 0.89 S1PR1 (0.48) S1PR1TLR8TLR7HTR2ASLC6A4
SCHEMBL14313910 0.88 TLR8 (0.39) S1PR1TLR8TLR7HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053038-B1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2016-10-05 EP claimed
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 US claimed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US claimed
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US claimed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 EP claimed
EP-2053038-B1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2016-10-05 EP disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 US disclosed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 EP 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-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, S1PR2, SPHK1 S1PR1 1/4885TLR8 304/4885TLR7 517/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 S1PR1 2503/4885TLR8 2213/4885TLR7 2492/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 S1PR1 1/4885TLR8 1027/4885TLR7 769/4885

“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.