SCHEMBL4462033

SCHEMBL4462033

C[C@H](Cc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
LMNA P02545 1/20 0.58
TAAR1 Q96RJ0 4/20 0.56
ESR1 P03372 1/20 0.56
KCNH2 Q12809 1/20 0.56
KMT2A Q03164 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
SLC18A2 Q05940 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 4/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
CTRB1 P17538 1/20 0.48

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
SCHEMBL8420771 1.00 NPC1 (0.67) NPC1RAB9ALMNATAAR1ESR1
SCHEMBL6679690 1.00 NPC1 (0.67) NPC1RAB9ALMNATAAR1ESR1
SCHEMBL13623898 0.89 NPC1 (0.65) NPC1RAB9ALMNATAAR1KMT2A
SCHEMBL31545476 0.87 NPC1 (0.63) NPC1RAB9ALMNATAAR1KMT2A
SCHEMBL8986825 0.85 ESR1 (0.54) NPC1RAB9ATAAR1ESR1KCNH2
SCHEMBL11959175 0.85 ACACB (0.56) NPC1RAB9ALMNAESR1KCNH2
SCHEMBL8986819 0.85 ESR1 (0.54) NPC1RAB9ATAAR1ESR1KCNH2
SCHEMBL9180602 0.84 FOLH1 (0.52) NPC1RAB9AESR1KCNH2ALDH1A1
SCHEMBL9183694 0.84 NPC1 (0.63) NPC1RAB9ALMNATAAR1KMT2A
SCHEMBL6540778 0.84 CYP1A2 (0.51) NPC1RAB9AESR1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
US-4016146-A Phenethylamine antigenic conjugates, their preparation, antibodies, and use BIOLOGICAL DEVELOPMENTS, INC. (US) 1977-04-05 US disclosed
US-3996344-A Phenethylamine antigenic conjugates, their preparation, antibodies and use BIOLOGICAL DEVELOPMENTS, INC. (US) 1976-12-07 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 (5 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 NPC1 1806/4885RAB9A 766/4885LMNA 4698/4885
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 NPC1 4399/4885RAB9A 1893/4885LMNA 3736/4885
US-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 NPC1 4691/4885RAB9A 1763/4885LMNA 3590/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 NPC1 4587/4885RAB9A 2688/4885LMNA 4565/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 NPC1 4528/4885RAB9A 1610/4885LMNA 3890/4885

“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.