SCHEMBL16786083

SCHEMBL16786083

CN1CCCN([C@@H]2CCCNC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.39
▸ HTR2B P41595 13/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CAMK2D Q13557 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33

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
SCHEMBL20986376 1.00 HTR2C (0.39) HTR2CHTR2BPARP1HTR2AHTR3E
SCHEMBL20986373 1.00 HTR2C (0.39) HTR2CHTR2BPARP1HTR2AHTR3E
Hydrochloric Acid SCHEMBL16764419 0.98 HTR2C (0.39) HTR2CHTR2BPARP1HTR2AHTR3E
Hydrochloric Acid SCHEMBL16764417 0.98 HTR2C (0.39) HTR2CHTR2BPARP1HTR2AHTR3E
SCHEMBL16763877 0.92 PARP1 (0.38) HTR2CHTR2BPARP1HTR2AHTR3E
SCHEMBL16763874 0.92 PARP1 (0.38) HTR2CHTR2BPARP1HTR2AHTR3E
Hydrochloric Acid SCHEMBL21855144 0.90 PARP1 (0.37) HTR2CHTR2BPARP1HTR2AHTR3E
SCHEMBL2865250 0.81 HTR2C (0.39) HTR2CHTR2BPARP1NPY5RNOS3
Trifluoroacetic Acid SCHEMBL28856904 0.81 PARP1 (0.37) HTR2CHTR2BPARP1NPY5R
Bromide SCHEMBL11445492 0.80 HTR2C (0.42) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — 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 (4 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HTR2C 3734/4885HTR2B 3298/4885PARP1 891/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HTR2C 3688/4885HTR2B 3267/4885PARP1 892/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HTR2C 3688/4885HTR2B 3267/4885PARP1 892/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HTR2C 3688/4885HTR2B 3267/4885PARP1 892/4885

“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.

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