SCHEMBL6972698

SCHEMBL6972698

ClC1CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.59
BCHE P06276 4/20 0.58
BACE1 P56817 4/20 0.58
CCR3 P51677 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
S1PR5 Q9H228 1/20 0.51

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
SCHEMBL6972688 1.00 ACHE (0.59) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL4815665 0.89 CYP2D6 (0.68) ACHEBCHESIGMAR1ALDH1A1CYP1A2
SCHEMBL2010139 0.88 ACHE (0.69) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL3789159 0.81 ACHE (0.59) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL1848011 0.81 ACHE (0.59) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL5858096 0.81 ACHE (0.59) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL3780157 0.81 ACHE (0.59) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL6399821 0.79 CYP1A2 (0.81) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL2775677 0.79 ACHE (0.58) ACHEBCHEBACE1CCR3SIGMAR1
SCHEMBL608225 0.79 ALDH1A1 (0.81) ACHEBCHEBACE1CCR3SIGMAR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574087-B Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2022-07-26 CN disclosed
CN-112574087-A Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2021-03-30 CN disclosed
CN-1331852-C Synthesis method of N-substituted-3-amidopyrrolidine and its bihydrochlorate UNIV ZHEJIANG (CN) 2007-08-15 CN disclosed
CN-1733720-A Synthesis method of N-substituted-3-amidopyrrolidine and its bihydrochlorate UNIV ZHEJIANG (CN) 2006-02-15 CN disclosed
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 EP disclosed
US-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 US disclosed
US-6310061-B2 OPIOID RECEPTOR SUBTYPE KAPPA; USE AS ANALGESIC, ANESTHETIC, ANTIINFLAMMATORY OR NEUROPROTECTIVE AGENT, FOR TREATMENT OF ARTHRITIS, STROKE OR FUNCTIONAL BOWEL DISEASE; REDUCED DRUG DEPENDENCY SIDE EFFECTS PFIZER INC. 2001-10-30 US disclosed
US-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 US disclosed
US-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 US disclosed
US-6294569-B2 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 US disclosed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 US disclosed
US-6201007-B1 OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS PFIZER INC. 2001-03-13 US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed
EP-0505377-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1996-01-03 EP disclosed
US-5281601-A Imide substituted indoline derivatives PFIZER INC. (US) 1994-01-25 US disclosed
EP-0505377-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-09-30 EP disclosed
WO-1991009015-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
US-3984557-A 1-R-3-PYRROLIDINYL-A-PHENYL-A-(2-PYRIDYL) ACETAMIDES, -ACETONITRILES, AND -METHANES A. H. ROBINS COMPANY, INCORPORATED (US) 1976-10-05 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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 ACHE 320/4885BCHE 802/4885BACE1 589/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 ACHE 948/4885BCHE 935/4885BACE1 1513/4885

“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.