SCHEMBL6132726

SCHEMBL6132726

C#C[C@@H]1COCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.39
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
ATM Q13315 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 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
SCHEMBL18344821 1.00 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL6237112 1.00 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL29022290 0.85 USP2 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL3086236 0.85 USP2 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL25181600 0.82 SMN1; SMN2 (0.44) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL4919669 0.80 HSD17B10 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL5275535 0.80 HSD17B10 (0.47) SMN1; SMN2USP2RECQLHSD17B10CTSK
SCHEMBL12021701 0.78 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10PIK3R1
SCHEMBL925405 0.78 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL315706 0.78 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10PIK3R1

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
WO-2023091707-A1 BICYCLIC INHIBITORS OF JAK AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-05-25 WO disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 WO 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-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 SMN1; SMN2 4315/4885USP2 3424/4885RECQL 4557/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 SMN1; SMN2 4534/4885USP2 3514/4885RECQL 3240/4885

“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.