SCHEMBL6322792

SCHEMBL6322792

COC(=O)Nc1ccc(C(CCN(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)c(N)c2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
KCNH2 Q12809 2/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.39
NR1H3 Q13133 3/20 0.38
LTA4H P09960 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
SCHEMBL7610964 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7612353 0.93 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7536030 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7536034 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7612133 0.89 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6320375 0.89 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6324058 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TSHRPOLB
SCHEMBL7612298 0.88 ALDH1A1 (0.50) NPC1RAB9AALDH1A1TSHRKCNH2
SCHEMBL7688371 0.86 POLB (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6321494 0.86 POLB (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 NPC1 4266/4885RAB9A 1231/4885SMN1; SMN2 1593/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 NPC1 4169/4885RAB9A 1187/4885SMN1; SMN2 1281/4885

“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.