SCHEMBL3564216

SCHEMBL3564216

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 1/20 0.41
CCR3 P51677 2/20 0.40
RORC P51449 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
KCNH2 Q12809 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 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
SCHEMBL3555611 0.91 POLB (0.47) POLBTSHRMAPTDRD2DRD3
SCHEMBL3562413 0.90 KMT2A (0.42) POLBMAPTDRD2CCR3RORC
SCHEMBL3556658 0.90 KMT2A (0.44) POLBMAPTDRD2CCR3UTS2R
SCHEMBL3557298 0.88 MAPT (0.43) POLBMAPTRORCUTS2RMEN1
SCHEMBL301780 0.87 TP53 (0.46) TSHRMAPTCCR3RORCSMN1; SMN2
SCHEMBL3564763 0.86 NAMPT (0.47) POLBMAPTDRD2CCR3UTS2R
SCHEMBL3562290 0.85 CA1 (0.49) MAPTCCR3SMN1; SMN2KCNH2MEN1
SCHEMBL3566426 0.85 CACNA1B (0.51) MAPTDRD2CCR3SMN1; SMN2HTR1A
SCHEMBL3563101 0.84 LMNA (0.41) CCR3RORCNAMPT
SCHEMBL3566882 0.84 CCR3 (0.42) MAPTCCR3RORCMEN1KMT2A

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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 (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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 POLB 4709/4885TSHR 1285/4885MAPT 1151/4885

“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.