SCHEMBL6402476

SCHEMBL6402476

N=C(Nc1ccccc1)N1CC[C@@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ATR Q13535 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.41
CYP2D6 P10635 2/20 0.41
OPRK1 P41145 2/20 0.41
TSHR P16473 1/20 0.41
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
NAMPT P43490 1/20 0.40
KCNA3 P22001 1/20 0.40

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
SCHEMBL14066248 0.81 LMNA (0.73) LMNAGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL9059243 0.80 ALDH1A1 (0.46) GAAMAPTSMN1; SMN2KDM4EALDH1A1
Iodide SCHEMBL10827419 0.76 NPC1 (0.58) LMNAMAPTSMN1; SMN2NPC1TP53
SCHEMBL6403300 0.76 GAA (0.47) GAASMN1; SMN2NPC1RAB9A
SCHEMBL8518308 0.75 ALDH1A1 (0.59) LMNAGAAMAPTSMN1; SMN2NPC1
SCHEMBL8391995 0.75 ALDH1A1 (0.55) LMNAMAPTSMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL11483908 0.74 KMT2A (0.58) LMNAGAAMAPTSMN1; SMN2NPC1
Iodide SCHEMBL10827369 0.74 ALDH1A1 (0.58) LMNAGAAMAPTSMN1; SMN2NPC1
SCHEMBL7096012 0.73 KDM4E (0.69) LMNAGAAMAPTL3MBTL1SMN1; SMN2
Iodide SCHEMBL10827361 0.73 ALDH1A1 (0.61) LMNAGAAMAPTSMN1; SMN2NPC1

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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2005-06-23 US claimed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting AOC3, ADRB3, HTR3C LMNA 1407/4885GAA 3183/4885MAPT 4679/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 LMNA 3637/4885GAA 2407/4885MAPT 3740/4885

“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.