SCHEMBL4824740

SCHEMBL4824740

CCCCN1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.85
DRD4 P21917 8/20 0.57
HTR1A P08908 7/20 0.57
DRD1 P21728 7/20 0.57
DRD5 P21918 7/20 0.57
DRD3 P35462 7/20 0.57
GRM2 Q14416 1/20 0.56
HTR2C P28335 2/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4823773 0.92 DRD2 (1.00) DRD2DRD4DRD3GRM2HTR2C
SCHEMBL31060813 0.85 DRD2 (0.87) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL11822283 0.85 DRD2 (0.69) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL28279156 0.83 DRD2 (0.59) DRD2DRD4GRM2
SCHEMBL28225266 0.82 DRD2 (0.61) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL12524340 0.82 DRD2 (0.73) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL6926283 0.82 DRD2 (0.72) DRD2DRD4HTR1ADRD3GRM2
SCHEMBL4827157 0.80 DRD2 (0.87) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL152587 0.78 DRD2 (0.81) DRD2DRD4HTR1ADRD1DRD5
SCHEMBL7761731 0.78 DRD2 (0.74) DRD2DRD4DRD1DRD5DRD3

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 9 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
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US 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
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-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 (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 DRD2 18/4885DRD4 26/4885HTR1A 152/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885DRD4 30/4885HTR1A 90/4885

“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.