SCHEMBL447773

SCHEMBL447773

OC1CCN(Cc2ccc3cc(OCCCc4ccc(Cl)cc4)ccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.59
HTR2A P28223 4/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
KMT2A Q03164 1/20 0.59
ACHE P22303 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
LTA4H P09960 3/20 0.50
NPC1 O15118 1/20 0.49
CHRM1 P11229 2/20 0.48
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL948570 0.86 S1PR5 (0.58) MCHR1HTR2AHRH3LTA4HCCR5
SCHEMBL450906 0.85 RAB9A (0.57) HTR2ARAB9AALDH1A1MEN1CYP2D6
SCHEMBL5175612 0.81 RAB9A (0.74) MCHR1HTR2ARAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL947058 0.79 S1PR5 (0.62) HTR2ASIGMAR1
SCHEMBL454069 0.79 LTA4H (0.55) MCHR1RAB9AALDH1A1MEN1CYP2D6
SCHEMBL451101 0.79 LTA4H (0.55) MCHR1RAB9AALDH1A1MEN1CYP2D6
SCHEMBL948518 0.78 S1PR1 (0.63) HRH3LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL947322 0.77 S1PR1 (0.62) HRH3LTA4HSIGMAR1
SCHEMBL4141085 0.77 ALDH1A1 (0.60) RAB9AALDH1A1MEN1CYP2D6KMT2A
SCHEMBL8097555 0.75 RAB9A (1.00) MCHR1HTR2ARAB9AALDH1A1MEN1

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA MCHR1 335/4885HTR2A 1482/4885RAB9A 2895/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MCHR1 286/4885HTR2A 1538/4885RAB9A 2556/4885

“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.