SCHEMBL3885648

SCHEMBL3885648

O=C(NCCCN1C[C@@H]2C[C@H](c3ccc(F)cc3)[C@@H]2C1)Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CCR3 P51677 11/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL3896148 1.00 HTR3A (0.52) HTR3ALMNAMAPTTP53NPSR1
SCHEMBL3885898 0.87 CCR3 (0.68) CCR3
SCHEMBL3896691 0.87 CCR3 (0.68) CCR3
SCHEMBL7779073 0.86 KDM1A (0.48) LMNAMAPTNPSR1CCR3MAPK1
SCHEMBL8989753 0.83 CCR3 (0.50) CCR3SMN1; SMN2
SCHEMBL7781809 0.81 TMEM97 (0.51) CCR3
SCHEMBL7781120 0.81 CCR3 (0.53) CCR3SMN1; SMN2
SCHEMBL7781108 0.79 PLD1 (0.53) CCR3
Cyclopropane SCHEMBL7076457 0.78 PLD1 (0.41) KMT2A
Cyclopentane SCHEMBL7071125 0.78 PLD1 (0.41) KMT2A

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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 US claimed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 US claimed
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 US disclosed
US-6960666-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 US disclosed
US-6784200-B2 SUCH AS N-3-(CIS-2,3,3A,4,9,9A-HEXAHYDRO-1H-BENZ(F)ISOINDOL-2-YL)-N-PROP-1-YL-N'-3 -ACETYLPHENYLUREA FOR PREVENTION OF INFLAMMATORY DISEASES (ASTHMA AND ALLERGIES) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-31 US disclosed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 US disclosed
US-6586446-B1 Chemotaxic cytokine agonists or antagonists such as N(3-acetylphlenyl)-N'-(-2-((-3-((4-fluorophenyl)methyl)-8 -azabicyclo(3.2.1)oct-8-yl)methyl)-(2R)-1-cyclohexyl)urea, used as antiinflammatory agents for asthma or allergies BRISTOL-MYERS SQUIBB 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 (3 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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 HTR3A 162/4885LMNA 3177/4885MAPT 4071/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 HTR3A 162/4885LMNA 3177/4885MAPT 4071/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 HTR3A 129/4885LMNA 3395/4885MAPT 4013/4885

“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.