SCHEMBL7046342

SCHEMBL7046342

Nc1cc(N2CCN(C(=O)O)CC2)ccc1Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 7/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
IP6K1 Q92551 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR6 P50406 2/20 0.39
C1S P09871 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL6747471 0.85 PDK2 (0.51) MAPTLMNAALDH1A1
SCHEMBL7045545 0.80 MEN1 (0.56) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL7045540 0.80 MEN1 (0.56) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL7047034 0.79 ALDH1A1 (0.49) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3986081 0.78 IP6K1 (0.53) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL18155100 0.73 IP6K1 (0.55) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL23123759 0.73 IP6K1 (0.50) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL7049563 0.73 HTR6 (0.69) SMN1; SMN2HPGDNPC1RAB9AHTT
SCHEMBL16318399 0.72 IP6K1 (0.43) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3119833 0.72 ADRA2C (0.59) SMN1; SMN2MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 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 (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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA SMN1; SMN2 66/4885HPGD 618/4885MAPT 204/4885

“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.