SCHEMBL1652012

SCHEMBL1652012

O=C(COc1cccc(I)c1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
HPGD P15428 4/20 0.63
NPC1 O15118 2/20 0.63
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
FKBP1A P62942 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL13606473 0.87 FKBP1A (0.72) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL791567 0.81 GAA (0.78) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL5060091 0.80 CYP3A4 (0.61) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL10064244 0.80 MEN1 (0.83) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL4204365 0.79 RAB9A (0.59) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL16301338 0.79 RAB9A (0.61) RAB9AHPGDNPC1ALDH1A1GAA
SCHEMBL29516320 0.78 MEN1 (0.86) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL23222333 0.77 RAB9A (0.56) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL10224038 0.76 RAB9A (0.57) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL10223985 0.76 HPGD (0.58) RAB9AHPGDNPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 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 (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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D RAB9A 937/4885HPGD 812/4885NPC1 1468/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D RAB9A 937/4885HPGD 812/4885NPC1 1468/4885

“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.