SCHEMBL4827482

SCHEMBL4827482

COC(=O)N1CC=C(c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.47
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDK4 Q16654 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL442073 0.82 ALDH1A1 (0.62) ALDH1A1ALOX15NPC1TSHRRAB9A
SCHEMBL4825351 0.80 QDPR (0.46) QDPRALDH1A1ALOX15NPC1TSHR
SCHEMBL2783352 0.74 PDK4 (0.49) POLBPDK4MAPTNAMPT
SCHEMBL18408614 0.74 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2KDM4EPKM
SCHEMBL19297504 0.74 QDPR (0.49) QDPRALDH1A1ALOX15NPC1TSHR
SCHEMBL4827565 0.73 DRD2 (0.53) ALDH1A1PKM
SCHEMBL17455067 0.73 GPR119 (0.62) PDK4NAMPT
SCHEMBL17509951 0.71 QDPR (0.48) QDPRALDH1A1ALOX15NPC1TSHR
SCHEMBL17397023 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL18408688 0.71 DRD2 (0.45) ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 QDPR 944/4885ALDH1A1 2313/4885ALOX15 2684/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 QDPR 340/4885ALDH1A1 2122/4885ALOX15 3588/4885

“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.