SCHEMBL17827657

SCHEMBL17827657

OC(c1ccccc1)(c1ccccc1)c1ncccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHKA P35790 1/20 0.39
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
HRH1 P35367 3/20 0.38
HRH2 P25021 2/20 0.38
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL17827658 0.86 SLC2A1 (0.41) MAPTLMNAHTTCA12CA1
SCHEMBL17827652 0.86 MAPT (0.49) MAPTGAAKDM4EHTTHRH3
SCHEMBL17827707 0.82 CHKA (0.42) MAPTLMNAGAAKDM4ECHKA
SCHEMBL20751685 0.82 HTR2A (0.37) MAPTKDM4EHTTHRH3
SCHEMBL20751652 0.82 MAPT (0.45) MAPTLMNAGAAKDM4EHRH3
SCHEMBL17827653 0.75 MAPT (0.48) MAPTGAAKDM4EHTTHRH3
SCHEMBL17831308 0.74 CHKA (0.48) MAPTLMNAGAAKDM4ECHKA
SCHEMBL16439231 0.74 CHKA (0.48) MAPTLMNAGAACHKAHTT
SCHEMBL17827666 0.73 MAPT (0.47) MAPTLMNAGAAKDM4ECHKA
SCHEMBL17827656 0.72 CHKA (0.50) MAPTLMNAGAACHKAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2366/4885CFTR 194/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MAPT 4504/4885LMNA 2366/4885CFTR 194/4885

“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.