SCHEMBL466183

SCHEMBL466183

NCC1(CC(=O)O)CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
ALDH1A1 P00352 2/20 1.00
USP2 O75604 1/20 1.00
LMNA P02545 1/20 1.00
TSHR P16473 1/20 1.00
BLM P54132 1/20 1.00
CACNA2D1 P54289 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.40

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
Gabapentin SCHEMBL179836 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6544499 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL8343 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL4030100 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL6672099 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL6689206 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL19031792 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL7340062 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL26730 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR
Gabapentin SCHEMBL1828034 0.98 CYP1A2 (0.96) CYP1A2ALDH1A1USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
EP-0552240-B1 NEW METHOD OF TREATING DEPRESSION WARNER LAMBERT CO (US) 1998-03-18 EP claimed
EP-0446570-B1 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER LAMBERT CO (US) 1995-08-02 EP claimed
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP claimed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US claimed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US claimed
US-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2405754-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE Theraquest Biosciences, Inc. (US) 2012-01-18 EP disclosed
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2011-04-28 US disclosed
EP-2262367-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE Theraquest Biosciences, Inc. (US) 2010-12-22 EP disclosed
WO-2010104494-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE THERAQUEST BIOSCIENCES, INC. (US) 2010-09-16 WO disclosed
WO-2009114118-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2009-09-17 WO disclosed
US-5084479-A Aminomethylcycloalkylacetic acids for nervous system disorders WARNER-LAMBERT COMPANY (US) 1992-01-28 US disclosed
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP disclosed
EP-0446570-A2 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-5025035-A Administering antidepressants WARNER-LAMBERT COMPANY (US) 1991-06-18 US disclosed
US-4228179-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 1980-10-14 US disclosed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 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-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use OPRK1, OPRM1, OPRD1 CYP1A2 16/4885ALDH1A1 388/4885USP2 3448/4885
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use CYP2B6, CYP3A5, OPRM1 CYP1A2 24/4885ALDH1A1 622/4885USP2 4505/4885

“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.