SCHEMBL6526014

SCHEMBL6526014

C=CCOC(=O)CN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 5/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
EGFR P00533 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL12080073 0.98 NPSR1 (0.41) NPSR1CHRM5CHRM3TSHRSIGMAR1
Hydrochloric Acid SCHEMBL25357568 0.98 NPSR1 (0.41) NPSR1CHRM5CHRM3TSHRSIGMAR1
SCHEMBL6530019 0.83 TSHR (0.42) NPSR1CHRM5CHRM3TSHRTDP1
SCHEMBL10652500 0.81 NPSR1 (0.43) NPSR1TSHRTDP1ALDH1A1GAA
SCHEMBL12092162 0.79 NPSR1 (0.42) NPSR1TSHRSIGMAR1TDP1ALDH1A1
SCHEMBL14313827 0.79 KDM4E (0.47) NPSR1TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL9044164 0.79 NPSR1 (0.42) NPSR1TSHRTDP1ALDH1A1GAA
SCHEMBL931672 0.78 NPSR1 (0.41) NPSR1TSHRTDP1ALDH1A1GAA
SCHEMBL12092154 0.77 MEN1 (0.40) NPSR1TSHRTDP1ALDH1A1GAA
SCHEMBL12092166 0.77 TPSAB1 (0.43) NPSR1TSHRTDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
US-6894052-B1 Serotonergic receptor antagonist RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2005-05-17 US disclosed
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP disclosed
EP-1000046-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006383-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed
EP-0551993-B1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMA (JP) 1996-07-10 EP disclosed
US-5322952-A Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-06-21 US disclosed
EP-0551993-A1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-07-21 EP disclosed
US-4610984-A CEREBRAL INSUFFICIENCY CASSELLA AKTIENGESELLSCHAFT (DE) 1986-09-09 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 (3 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 NPSR1 1873/4885CHRM5 4428/4885CHRM3 3748/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP NPSR1 1570/4885CHRM5 4882/4885CHRM3 4871/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 NPSR1 2812/4885CHRM5 4860/4885CHRM3 4861/4885

“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.