SCHEMBL17827643

SCHEMBL17827643

Clc1ncccc1N1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
DHFR P00374 1/20 0.46
DRD4 P21917 3/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 4/20 0.44
HTT P42858 1/20 0.44
KCNH2 Q12809 2/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL16439231 0.88 CHKA (0.48) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL31473785 0.82 GAA (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL27549878 0.82 GAA (0.55) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL12156788 0.81 DRD2 (0.54) MAPTDRD4DRD2DRD3HTR3E
SCHEMBL1801712 0.81 SMN1; SMN2 (0.58) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL28265996 0.80 GAA (0.54) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL2335427 0.79 GAA (0.47) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL19212308 0.77 ADRB1 (0.59) MAPTLMNADHFRDRD4DRD2
SCHEMBL122045 0.77 HTR2A (0.61) DRD2DRD3ALDH1A1KDM4E
SCHEMBL31050094 0.77 HTR2A (0.61) DRD2DRD3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 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 (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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MAPT 4504/4885LMNA 2366/4885DHFR 715/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MAPT 4504/4885LMNA 2366/4885DHFR 715/4885

“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.