SCHEMBL3330579

SCHEMBL3330579

FC(F)(F)c1cncc(N2CCNCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.67
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR1D P28221 1/20 0.59
HTR2C P28335 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CHRNB2 P17787 9/20 0.58
CHRNA4 P43681 9/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
CHRNA1 P02708 1/20 0.53
CHRNA7 P36544 1/20 0.53

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
Hydrochloric Acid SCHEMBL31061215 0.98 ADRB1 (0.65) ADRB1HTR3EHTR3BALDH1A1HTR1D
Hydrochloric Acid SCHEMBL31061224 0.98 ADRB1 (0.65) ADRB1HTR3EHTR3BALDH1A1HTR1D
Hydrochloric Acid SCHEMBL3327768 0.98 ADRB1 (0.65) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL6353887 0.94 CHRNB2 (0.62) ADRB1HTR3EHTR3BALDH1A1HTR1D
Tert-Butyl Formate SCHEMBL27685505 0.84 ADRB1 (0.49) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL22669037 0.84 CCR6 (0.45) ADRB1HTR3EHTR3BALDH1A1HTR1D
Hydrochloric Acid SCHEMBL30328819 0.84 CYP2D6 (0.48) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL14616906 0.83 CHRNB2 (0.58) ADRB1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL24008759 0.83 SCN10A (0.47) ADRB1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL12205345 0.82 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024165050-A1 PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD AUBRAK THERAPEUTICS (CN) 2024-08-15 WO disclosed
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8470827-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-06-25 US disclosed
US-8470827-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-06-25 US disclosed
US-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 US disclosed
US-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 US disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 US disclosed
CN-1976707-A 3-aminocyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-06-06 CN disclosed
CN-1976702-A 3-aminocyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-06-06 CN disclosed
EP-1763351-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-03-21 EP disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 US disclosed
WO-2006004684-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2006-01-12 WO disclosed
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-05 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 ADRB1 356/4885HTR3E 359/4885HTR3B 446/4885
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 ADRB1 356/4885HTR3E 359/4885HTR3B 446/4885
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 ADRB1 333/4885HTR3E 349/4885HTR3B 410/4885

“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.