SCHEMBL7044429

SCHEMBL7044429

Nc1cc(N2CCCN(C(=O)O)CC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RORC P51449 2/20 0.42
CHRM1 P11229 1/20 0.41
HTT P42858 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR183 P32249 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6741316 0.87 PIK3CA (0.49) HTR6LMNARORCHTTUSP2
SCHEMBL7045372 0.85 HTT (0.51) HTR6LMNATDP1RORCHTT
SCHEMBL7045368 0.85 HTT (0.51) HTR6LMNATDP1RORCHTT
SCHEMBL7049563 0.85 HTR6 (0.69) HTR6RORCHTTALDH1A1PKM
SCHEMBL6744996 0.84 HTR6 (0.56) HTR6KMT2AMAPTPOLB
SCHEMBL7048580 0.84 HTR6 (0.58) HTR6LMNATDP1RORCHTT
SCHEMBL6741313 0.82 HTR6 (0.60) HTR6HTTMAPK1KMT2AMAPT
SCHEMBL6744032 0.80 HTR6 (0.73) HTR6
SCHEMBL6744946 0.79 HTR6 (0.76) HTR6
SCHEMBL18155100 0.75 IP6K1 (0.55) HTR6LMNATDP1HTTUSP2

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 HTR6 221/4885LMNA 2142/4885TDP1 1234/4885

“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.