SCHEMBL93016

SCHEMBL93016

COc1ccc(COC2CCCCO2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
CRHBP P24387 3/20 0.47
CRHR2 Q13324 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CREBBP Q92793 1/20 0.41
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
DRD4 P21917 2/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
PDE4B Q07343 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
P2RX3 P56373 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL79294 0.85 NPC1 (0.45) SMN1; SMN2CRHBPCRHR2MAPTALDH1A1
SCHEMBL18410186 0.83 NPC1 (0.40) ALDH1A1NPC1RAB9ACREBBPICAM1
SCHEMBL92906 0.83 DRD4 (0.47) NPC1RAB9ACREBBPTMEM97SIGMAR1
SCHEMBL8992945 0.83 ICAM1 (0.38) NPC1RAB9ACREBBPTMEM97SIGMAR1
SCHEMBL18410184 0.81 ICAM1 (0.40) NPC1RAB9ACREBBPICAM1SELE
SCHEMBL16077650 0.80 CREBBP (0.46) SMN1; SMN2ALDH1A1NPC1RAB9ACREBBP
SCHEMBL3078260 0.80 ICAM1 (0.40) NPC1RAB9ACREBBPICAM1SELE
SCHEMBL30834549 0.80 ICAM1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ACREBBP
SCHEMBL16727109 0.80 ICAM1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ACREBBP
SCHEMBL8321396 0.79 NPC1 (0.50) MAPTNPC1RAB9AICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SMN1; SMN2 3560/4885CRHBP 3247/4885CRHR2 1260/4885

“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.