SCHEMBL6840537

SCHEMBL6840537

COC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 7/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
ADAM10 O14672 1/20 0.52
ERBB2 P04626 1/20 0.52
WDR5 P61964 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL27927170 0.88 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL1810972 0.88 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL29803658 0.88 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL1985188 0.86 MAPT (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6599004 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3542256 0.85 LMNA (0.70) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL6599002 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7980470 0.83 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL30962706 0.83 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL19212266 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 US disclosed
EP-1368344-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074768-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2002-09-26 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 (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-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 ALDH1A1 884/4885MAPT 3757/4885LMNA 2234/4885

“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.