SCHEMBL16169552

SCHEMBL16169552

C[C@@H]1CCCC(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
ANPEP P15144 1/20 0.41
TSHR P16473 3/20 0.40
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
EPHX2 P34913 1/20 0.39
GABRR1 P24046 1/20 0.39
RECQL P46063 1/20 0.38
ACE P12821 1/20 0.36
APLNR P35414 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL254912 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL13711830 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL14438406 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL10306770 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL14210997 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL17476756 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL6128504 1.00 BTK (0.44) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL6918123 0.98 BTK (0.43) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL6912791 0.98 BTK (0.43) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL6913662 0.98 BTK (0.43) BTKANPEPTSHRSLC6A1SLC6A11

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A BTK 1207/4885ANPEP 334/4885TSHR 4597/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS BTK 4435/4885ANPEP 3925/4885TSHR 1320/4885

“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.