SCHEMBL2922399

SCHEMBL2922399

C=CCN1CCN(c2ccc(OC)c(S(C)(=O)=O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
FGFR1 P11362 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2928909 0.85 KDM2B (0.48) SMN1; SMN2MAPK1MAPTLMNATSHR
SCHEMBL2928872 0.82 DRD2 (0.57) SIGMAR1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL2926804 0.81 DRD2 (0.51) SMN1; SMN2KDM4EHTR7CYP2C19
SCHEMBL2925539 0.77 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MAPTLMNATSHR
SCHEMBL7430034 0.77 DRD2 (0.51) SIGMAR1SMN1; SMN2POLBCYP2C19
SCHEMBL2929064 0.77 HTR6 (0.53) SIGMAR1SMN1; SMN2MAPK1LMNAKDM4E
SCHEMBL24333332 0.69 POLB (0.53) SMN1; SMN2MAPK1MAPTLMNATSHR
SCHEMBL2784021 0.68 DRD2 (0.51) SMN1; SMN2MAPK1MAPTLMNATSHR
SCHEMBL12499477 0.68 KMT2A (0.48) SMN1; SMN2MAPTTSHRPOLBHTR7
SCHEMBL1074635 0.68 DRD2 (0.64) SMN1; SMN2MAPK1MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 TMEM97 74/4885SIGMAR1 5/4885SMN1; SMN2 904/4885

“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.